6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide

C7H5ClF2N2O2 — CID 22113414

IUPAC6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChIKeyUVCBHPGVPZDGDT-UHFFFAOYSA-N
MW222.58 g/mol
LogP0.76
Rot. Bonds2

About 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide

6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 22113414) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID22113414
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChIKeyUVCBHPGVPZDGDT-UHFFFAOYSA-N
XLogP0.76
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide 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-Hydroxy-6-(trifluoromethyl)nicotinamide
CID 2775114
6-(Difluoromethyl)-2-hydroxypyridine-3-carboxamide
CID 59828229
5-Chloro-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828234
6-(1-Chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828248
6-[(difluoro-lambda3-chloranyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 59928336
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86624095
6-(Chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide
CID 87742639
5-Bromo-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 145926823
CID 172681833
CID 172681833
CID 172822294
CID 172822294
CID 174036128
CID 174036128
6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 174330094

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 22113414) is 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UVCBHPGVPZDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14).
What are the key properties of 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.58 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 22113414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).