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

C14H11BrN2O3 — CID 62074818

IUPAC5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccn1)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-9-4-5-12(11(7-9)14(19)20)17-13(18)8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyPJMTTYJFNJLRHY-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.72
Rot. Bonds4

About 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid

5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid (PubChem CID 62074818) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
PubChem CID62074818
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccn1)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-9-4-5-12(11(7-9)14(19)20)17-13(18)8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyPJMTTYJFNJLRHY-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

5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
5-bromo-2-(pyrimidin-2-ylcarbamoylamino)benzoic acid
CID 62073329
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
CID 158180443
3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43331451
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
2-fluoro-6-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43442825
1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
CID 158421161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid (CID 62074818) is 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid is O=C(Cc1ccccn1)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The InChIKey is PJMTTYJFNJLRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-9-4-5-12(11(7-9)14(19)20)17-13(18)8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
5-bromo-2-[(2-pyridin-2-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 5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 62074818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).