4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid

C14H11BrN2O3 — CID 62691044

IUPAC4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cccnc1)Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-10-3-4-11(14(19)20)12(7-10)17-13(18)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2,(H,17,18)(H,19,20)
InChIKeyGKFCQVILRYRRNY-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.72
Rot. Bonds4

About 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid

4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid (PubChem CID 62691044) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid
PubChem CID62691044
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cccnc1)Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-10-3-4-11(14(19)20)12(7-10)17-13(18)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2,(H,17,18)(H,19,20)
InChIKeyGKFCQVILRYRRNY-UHFFFAOYSA-N
XLogP2.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(3-phenylpropanoylamino)benzoic acid
CID 60915838
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
CID 71978991
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
4-bromo-2-(pyridin-3-ylmethylsulfonyl)benzoic acid
CID 115382135
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
CID 66868100
CID 66868100
2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
CID 116814254
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
2-methyl-4-[(2-pyridin-3-ylacetyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881481
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid (CID 62691044) is 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid is O=C(Cc1cccnc1)Nc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid?
The InChIKey is GKFCQVILRYRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-3-4-11(14(19)20)12(7-10)17-13(18)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid?
4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid has a molecular weight of 335.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 62691044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).