3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid

C13H8F2N2O3 — CID 115867825

IUPAC3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cncc(F)c2)c(F)c1
InChIInChI=1S/C13H8F2N2O3/c14-9-3-8(5-16-6-9)12(18)17-11-2-1-7(13(19)20)4-10(11)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyOTXJVJGNJXQTLQ-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.31
Rot. Bonds3

About 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid

3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid (PubChem CID 115867825) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
PubChem CID115867825
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cncc(F)c2)c(F)c1
InChIInChI=1S/C13H8F2N2O3/c14-9-3-8(5-16-6-9)12(18)17-11-2-1-7(13(19)20)4-10(11)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyOTXJVJGNJXQTLQ-UHFFFAOYSA-N
XLogP2.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 113452818
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid (CID 115867825) is 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cncc(F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is OTXJVJGNJXQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-9-3-8(5-16-6-9)12(18)17-11-2-1-7(13(19)20)4-10(11)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid?
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 278.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115867825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).