2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid

C14H13ClN2O4 — CID 43166932

IUPAC2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C14H13ClN2O4/c1-20-9-3-4-11(21-2)10(7-9)16-13-6-8(14(18)19)5-12(15)17-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIWDXWYNLYJPOAU-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.19
Rot. Bonds5

About 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid

2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid (PubChem CID 43166932) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
PubChem CID43166932
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C14H13ClN2O4/c1-20-9-3-4-11(21-2)10(7-9)16-13-6-8(14(18)19)5-12(15)17-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIWDXWYNLYJPOAU-UHFFFAOYSA-N
XLogP3.19
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
4-[[4,6-bis(2,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 1270210
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
CID 81447017
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid (CID 43166932) is 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid is COc1ccc(OC)c(Nc2cc(C(=O)O)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid?
The InChIKey is IWDXWYNLYJPOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-20-9-3-4-11(21-2)10(7-9)16-13-6-8(14(18)19)5-12(15)17-13/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid?
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid has a molecular weight of 308.72 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43166932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).