5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid

C13H12BrN3O3 — CID 114405965

IUPAC5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1ccc(Br)cc1Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H12BrN3O3/c1-20-11-5-2-7(14)6-10(11)17-12-8(15)3-4-9(16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyVCYWAYHNYWPDFP-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.88
Rot. Bonds4

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

5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid (PubChem CID 114405965) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
PubChem CID114405965
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1ccc(Br)cc1Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C13H12BrN3O3/c1-20-11-5-2-7(14)6-10(11)17-12-8(15)3-4-9(16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyVCYWAYHNYWPDFP-UHFFFAOYSA-N
XLogP2.88
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
CID 114405495
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
5-amino-6-(2,4-dibromoanilino)pyridine-2-carboxamide
CID 114405827
5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
CID 114407262
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
2-(5-bromo-2-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63518731
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
2-N-(5-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
CID 113286539

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid (CID 114405965) is 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid is COc1ccc(Br)cc1Nc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is VCYWAYHNYWPDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-20-11-5-2-7(14)6-10(11)17-12-8(15)3-4-9(16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid?
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 338.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).