5-Methyl-2-(pyridin-4-yl)benzoic acid hydrochloride

HCID 86680842
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Basic information

Standard SMILES
Cc1ccc(-c2ccncc2)c(C(=O)O)c1.Cl
InChIKey
VRHHDGBVRZEHQG-UHFFFAOYSA-N
Molecular formula
C13H12ClNO2
Average molar mass
249.69 g/mol

Names & identifiers

Preferred name
5-Methyl-2-(pyridin-4-yl)benzoic acid hydrochloride
IUPAC
5-methyl-2-pyridin-4-ylbenzoic acid;hydrochloride

Names & synonyms

5-methyl-2-(pyridin-4-yl)benzoic acid hydrochloride1429505-70-35-methyl-2-pyridin-4-ylbenzoic acid;hydrochlorideSCHEMBL14840260VRHHDGBVRZEHQG-UHFFFAOYSA-NDB-414155A1-10281

Database identifiers

PubChem CID
86680842

Properties

Computed structural properties

Topological polar surface area
50.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

15 records
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Linked notes

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