4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid

C7H6F2N2O3 — CID 118823010

IUPAC4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESNc1cc(C(F)F)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H6F2N2O3/c8-5(9)3-1-2(10)4(7(13)14)6(12)11-3/h1,5H,(H,13,14)(H3,10,11,12)
InChIKeyJIASYKRCNJQDGR-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.59
Rot. Bonds2

About 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid

4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118823010) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118823010
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESNc1cc(C(F)F)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H6F2N2O3/c8-5(9)3-1-2(10)4(7(13)14)6(12)11-3/h1,5H,(H,13,14)(H3,10,11,12)
InChIKeyJIASYKRCNJQDGR-UHFFFAOYSA-N
XLogP0.59
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic 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

4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118829139
4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid
CID 133059323
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130104925
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 133101825
6-(difluoromethyl)-3-iodo-4-oxo-1H-pyridine-2-carboxylic acid
CID 130082854
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865
methyl 4-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130085314
ethyl 6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134664536
2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 119005211
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118823010) is 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is Nc1cc(C(F)F)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is JIASYKRCNJQDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-5(9)3-1-2(10)4(7(13)14)6(12)11-3/h1,5H,(H,13,14)(H3,10,11,12).
What are the key properties of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 204.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118823010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).