2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid

C13H10Cl2N2O2 — CID 43343601

IUPAC2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(C(=O)O)cc(Cl)n2)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-7-2-3-9(6-10(7)14)16-12-5-8(13(18)19)4-11(15)17-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyGYNLHRLCSLNWHT-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid

2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid (PubChem CID 43343601) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
PubChem CID43343601
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(C(=O)O)cc(Cl)n2)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-7-2-3-9(6-10(7)14)16-12-5-8(13(18)19)4-11(15)17-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyGYNLHRLCSLNWHT-UHFFFAOYSA-N
XLogP4.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
1-[4-[[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878137
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
2-(3-chloro-4-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767034
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
4-[[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193283
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid (CID 43343601) is 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid is Cc1ccc(Nc2cc(C(=O)O)cc(Cl)n2)cc1Cl.
What is the InChIKey of 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid?
The InChIKey is GYNLHRLCSLNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-2-3-9(6-10(7)14)16-12-5-8(13(18)19)4-11(15)17-12/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid?
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid has a molecular weight of 297.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).