2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid

C13H11ClN2O2 — CID 175617205

IUPAC2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2O2/c1-8-2-7-11(13(17)18)12(15-8)16-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyJMACTIHBURMNNH-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid

2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 175617205) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID175617205
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2O2/c1-8-2-7-11(13(17)18)12(15-8)16-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyJMACTIHBURMNNH-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 79020853
6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
CID 63376482
1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
CID 71217389
6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523
2-chloro-5-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoic acid
CID 60860716
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 62711356
6-methyl-2-(pent-3-ynylamino)pyridine-3-carboxylic acid
CID 116645397
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614
2-chloro-6-methylpyridine-3-carboxylic acid;1-[6-methyl-2-(4-morpholin-4-ylanilino)-3-pyridinyl]ethanone;molecular iodine;4-morpholin-4-ylaniline;triiodide;hydroiodide
CID 161062639
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
CID 83024698
2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63839654

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid (CID 175617205) is 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is JMACTIHBURMNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-2-7-11(13(17)18)12(15-8)16-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid?
2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 175617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).