5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid

C13H12ClN3O3 — CID 81440060

IUPAC5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(Nc2ncc(C(=O)O)cc2N)c1
InChIInChI=1S/C13H12ClN3O3/c1-20-8-2-3-9(14)11(5-8)17-12-10(15)4-7(6-16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyVUSFHWATNYTXPR-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.77
Rot. Bonds4

About 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid

5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 81440060) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID81440060
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(Nc2ncc(C(=O)O)cc2N)c1
InChIInChI=1S/C13H12ClN3O3/c1-20-8-2-3-9(14)11(5-8)17-12-10(15)4-7(6-16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyVUSFHWATNYTXPR-UHFFFAOYSA-N
XLogP2.77
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
CID 81447017
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
CID 83087906
4-amino-N-(2-chloro-5-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242456
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid (CID 81440060) is 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid is COc1ccc(Cl)c(Nc2ncc(C(=O)O)cc2N)c1.
What is the InChIKey of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is VUSFHWATNYTXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-20-8-2-3-9(14)11(5-8)17-12-10(15)4-7(6-16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid?
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81440060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).