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

C13H8FNO5 — CID 43442892

IUPAC2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1ccc(=O)oc1
InChIInChI=1S/C13H8FNO5/c14-8-2-1-3-9(11(8)13(18)19)15-12(17)7-4-5-10(16)20-6-7/h1-6H,(H,15,17)(H,18,19)
InChIKeyIUMHLCUNOIZECU-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.73
Rot. Bonds3

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

2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid (PubChem CID 43442892) has the molecular formula C13H8FNO5 and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
PubChem CID43442892
Molecular FormulaC13H8FNO5
Molecular Weight277.21 g/mol
Exact Mass277.04
IUPAC Name2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1ccc(=O)oc1
InChIInChI=1S/C13H8FNO5/c14-8-2-1-3-9(11(8)13(18)19)15-12(17)7-4-5-10(16)20-6-7/h1-6H,(H,15,17)(H,18,19)
InChIKeyIUMHLCUNOIZECU-UHFFFAOYSA-N
XLogP1.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
CID 43442938
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
3-hydroxy-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 60827184
2-fluoro-6-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638146
2-[(4,5-dibromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442741
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide
CID 60802943
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442816
3,5-dichloro-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 82811849

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid (CID 43442892) is 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid is O=C(Nc1cccc(F)c1C(=O)O)c1ccc(=O)oc1.
What is the InChIKey of 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
The InChIKey is IUMHLCUNOIZECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO5/c14-8-2-1-3-9(11(8)13(18)19)15-12(17)7-4-5-10(16)20-6-7/h1-6H,(H,15,17)(H,18,19).
What are the key properties of 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid?
2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid has a molecular weight of 277.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43442892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).