3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

C13H8BrFN2O3 — CID 104638360

IUPAC3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H8BrFN2O3/c14-8-3-7(13(19)20)4-10(5-8)17-12(18)11-2-1-9(15)6-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyZYTZHHUWNJSZED-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.93
Rot. Bonds3

About 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 104638360) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
PubChem CID104638360
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H8BrFN2O3/c14-8-3-7(13(19)20)4-10(5-8)17-12(18)11-2-1-9(15)6-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyZYTZHHUWNJSZED-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496522
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 107812529
3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971617
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 104638237
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (CID 104638360) is 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1cc(Br)cc(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is ZYTZHHUWNJSZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-8-3-7(13(19)20)4-10(5-8)17-12(18)11-2-1-9(15)6-16-11/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 339.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104638360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).