2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid

C14H12ClNO2 — CID 82121831

IUPAC2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)c(C(=O)O)cc2C)cc1
InChIInChI=1S/C14H12ClNO2/c1-8-3-5-10(6-4-8)12-9(2)7-11(14(17)18)13(15)16-12/h3-7H,1-2H3,(H,17,18)
InChIKeyWVSUHWUWFCEOSD-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid

2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 82121831) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
PubChem CID82121831
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)c(C(=O)O)cc2C)cc1
InChIInChI=1S/C14H12ClNO2/c1-8-3-5-10(6-4-8)12-9(2)7-11(14(17)18)13(15)16-12/h3-7H,1-2H3,(H,17,18)
InChIKeyWVSUHWUWFCEOSD-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 94285501
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
2-(dimethylamino)-5-methyl-6-phenylpyridine-3-carboxylic acid
CID 82120489
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 91527839
2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine
CID 59654102
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 114553225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid (CID 82121831) is 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid is Cc1ccc(-c2nc(Cl)c(C(=O)O)cc2C)cc1.
What is the InChIKey of 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is WVSUHWUWFCEOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-3-5-10(6-4-8)12-9(2)7-11(14(17)18)13(15)16-12/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 261.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82121831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).