3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid

C14H11BrN2O4 — CID 63112885

IUPAC3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2c(Br)cccc2C(=O)O)cn1
InChIInChI=1S/C14H11BrN2O4/c1-21-11-6-5-8(7-16-11)13(18)17-12-9(14(19)20)3-2-4-10(12)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyOAYYCQFQUMBPRP-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.80
Rot. Bonds4

About 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid

3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid (PubChem CID 63112885) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
PubChem CID63112885
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2c(Br)cccc2C(=O)O)cn1
InChIInChI=1S/C14H11BrN2O4/c1-21-11-6-5-8(7-16-11)13(18)17-12-9(14(19)20)3-2-4-10(12)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyOAYYCQFQUMBPRP-UHFFFAOYSA-N
XLogP2.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
CID 107598690
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 131900046
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 66463924
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
CID 63113012
3-bromo-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 63113008
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid (CID 63112885) is 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid is COc1ccc(C(=O)Nc2c(Br)cccc2C(=O)O)cn1.
What is the InChIKey of 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is OAYYCQFQUMBPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-21-11-6-5-8(7-16-11)13(18)17-12-9(14(19)20)3-2-4-10(12)15/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 351.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63112885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).