Pharmaceutical impurity

Abametapir Impurity 24

Abametapir Impurity 24 is listed in the pharmaceutical impurity collection under CAS 4467-06-5. Its represented structure has formula C12H11N and a calculated molecular weight of 169.23 g/mol.

2D chemical structure

Chemical identity

Catalog name: Abametapir Impurity 24
Common name: Abametapir Impurity 24
Chemical name: 2-(4-methylphenyl)pyridine
CAS: 4467-06-5
SMILES: Cc1ccc(-c2ccccn2)cc1
InChI: InChI=1S/C12H11N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h2-9H,1H3
InChIKey: KJNZQKYSNAQLEO-UHFFFAOYSA-N
Associated API: Abametapir

Record ID: A4b0f5993a17b

Computed properties

C12H11N Molecular formula

169.227 g/molMolecular weight

169.0891 DaMonoisotopic exact mass

12.89 Å²Topological polar surface area

3.057 Calculated LogP (Wildman–Crippen)

54.41 cm³/molMolar refractivity (Wildman–Crippen)

1 countHydrogen-bond acceptors

0 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Structural feature counts

Element composition

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference

Descriptor	Value	Percentile
Molecular weight	169.227	10.03
Calculated LogP (Wildman–Crippen)	3.057	62.93
Topological polar surface area	12.89	3.72
Hydrogen-bond acceptors	1	4.43
Hydrogen-bond donors	0	11.28
Rotatable bonds (strict)	1	12.12

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C12H11N	dimensionless
Molecular weight	169.227	g/mol
Monoisotopic exact mass	169.0891	Da
Topological polar surface area	12.89	Å²
Calculated LogP (Wildman–Crippen)	3.057	dimensionless
Molar refractivity (Wildman–Crippen)	54.41	cm³/mol
Hydrogen-bond acceptors	1	count
Hydrogen-bond donors	0	count
Rotatable bonds (strict)	1	count
Heavy atoms	13	count
Heteroatoms	1	count
Rings	2	count
Aromatic rings	2	count
Aliphatic rings	0	count
Saturated rings	0	count
Aromatic heterocycles	1	count
Aliphatic heterocycles	0	count
Saturated heterocycles	0	count
Aromatic carbocycles	1	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0.0833	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	0	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	78.0731	Å²
Valence electrons	64	count
Radical electrons	0	count
Bertz complexity	375.629	index
Balaban J	2.4239	index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Abametapir Impurity 24

Qualification and safety assessment of Abametapir Impurity 24

Explore toxicological qualification of Abametapir Impurity 24 and ICH M7 mutagenic impurity assessment of Abametapir Impurity 24 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Abametapir Impurity 24 and acceptable intake and limit justification for Abametapir Impurity 24. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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