2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid

C8H6F3NO3 — CID 118806945

IUPAC2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)cc(F)[nH]c1=O
InChIInChI=1S/C8H6F3NO3/c9-5-1-3(7(10)11)4(2-6(13)14)8(15)12-5/h1,7H,2H2,(H,12,15)(H,13,14)
InChIKeyFXTHXKPTOANACR-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.08
Rot. Bonds3

About 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid

2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 118806945) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID118806945
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)cc(F)[nH]c1=O
InChIInChI=1S/C8H6F3NO3/c9-5-1-3(7(10)11)4(2-6(13)14)8(15)12-5/h1,7H,2H2,(H,12,15)(H,13,14)
InChIKeyFXTHXKPTOANACR-UHFFFAOYSA-N
XLogP1.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic 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-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118807000
2-[4-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
CID 118801213
2-[6-(chloromethyl)-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118821536
2-[6-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133102694
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133102509
methyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106315
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
CID 118831564
ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093525

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid (CID 118806945) is 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c(C(F)F)cc(F)[nH]c1=O.
What is the InChIKey of 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is FXTHXKPTOANACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-5-1-3(7(10)11)4(2-6(13)14)8(15)12-5/h1,7H,2H2,(H,12,15)(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 118806945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).