3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid

C13H8F2N2O3 — CID 115496426

IUPAC3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(F)n2)c(F)c1
InChIInChI=1S/C13H8F2N2O3/c14-8-6-7(13(19)20)4-5-9(8)17-12(18)10-2-1-3-11(15)16-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyCWATZAPODMIUGW-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.31
Rot. Bonds3

About 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid

3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 115496426) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
PubChem CID115496426
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(F)n2)c(F)c1
InChIInChI=1S/C13H8F2N2O3/c14-8-6-7(13(19)20)4-5-9(8)17-12(18)10-2-1-3-11(15)16-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyCWATZAPODMIUGW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
3-bromo-5-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496522
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
6-N-(2,4-difluorophenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109100019

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid (CID 115496426) is 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cccc(F)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is CWATZAPODMIUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-8-6-7(13(19)20)4-5-9(8)17-12(18)10-2-1-3-11(15)16-10/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
3-fluoro-4-[(6-fluoropyridine-2-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-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115496426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).