3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid

C13H9BrN2O3 — CID 3465000

IUPAC3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H9BrN2O3/c14-10-4-9(6-15-7-10)12(17)16-11-3-1-2-8(5-11)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyWTZSBEMGMNKNBE-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.79
Rot. Bonds3

About 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid

3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid (PubChem CID 3465000) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
PubChem CID3465000
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H9BrN2O3/c14-10-4-9(6-15-7-10)12(17)16-11-3-1-2-8(5-11)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyWTZSBEMGMNKNBE-UHFFFAOYSA-N
XLogP2.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid (CID 3465000) is 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is WTZSBEMGMNKNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c14-10-4-9(6-15-7-10)12(17)16-11-3-1-2-8(5-11)13(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 321.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 3465000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).