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

C14H11BrN2O4 — CID 63112978

IUPAC3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCOc1ncccc1C(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C14H11BrN2O4/c1-21-13-9(5-3-7-16-13)12(18)17-11-8(14(19)20)4-2-6-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyPYHAMCQGOYIPDG-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.80
Rot. Bonds4

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

3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid (PubChem CID 63112978) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
PubChem CID63112978
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCOc1ncccc1C(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C14H11BrN2O4/c1-21-13-9(5-3-7-16-13)12(18)17-11-8(14(19)20)4-2-6-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyPYHAMCQGOYIPDG-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

N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
3-bromo-2-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112885
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-(3-acetamido-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 33241731
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
N-(3-fluoro-2-iodophenyl)-2-methoxypyridine-3-carboxamide
CID 113340929

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid (CID 63112978) is 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid is COc1ncccc1C(=O)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is PYHAMCQGOYIPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-21-13-9(5-3-7-16-13)12(18)17-11-8(14(19)20)4-2-6-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid?
3-bromo-2-[(2-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-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63112978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).