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

C14H11BrN2O3 — CID 63112491

IUPAC3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccn1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-11-6-3-5-10(14(19)20)13(11)17-12(18)8-9-4-1-2-7-16-9/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyGWOSJHGMIQLWAK-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.72
Rot. Bonds4

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

3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid (PubChem CID 63112491) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
PubChem CID63112491
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccn1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c15-11-6-3-5-10(14(19)20)13(11)17-12(18)8-9-4-1-2-7-16-9/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyGWOSJHGMIQLWAK-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

3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 62074818
3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112944
3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43331451
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
3-bromo-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 55176730
3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
CID 63112855
3-bromo-2-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid
CID 63112831
3-bromo-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid
CID 63112767

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid (CID 63112491) is 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid is O=C(Cc1ccccn1)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
The InChIKey is GWOSJHGMIQLWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-11-6-3-5-10(14(19)20)13(11)17-12(18)8-9-4-1-2-7-16-9/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid?
3-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 3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 63112491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).