2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide

C7H5ClF2N2O2 — CID 119005211

IUPAC2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(Cl)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-5-4(7(11)14)3(13)1-2(12-5)6(9)10/h1,6H,(H2,11,14)(H,12,13)
InChIKeyYMSIJSPUVSCNBY-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.06
Rot. Bonds2

About 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide

2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 119005211) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID119005211
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(Cl)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-5-4(7(11)14)3(13)1-2(12-5)6(9)10/h1,6H,(H2,11,14)(H,12,13)
InChIKeyYMSIJSPUVSCNBY-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
CID 118826057
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130104925
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118829139
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118823010
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
CID 130079843
6-(difluoromethyl)-3-iodo-4-oxo-1H-pyridine-2-carboxylic acid
CID 130082854
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130105085
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide (CID 119005211) is 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(Cl)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YMSIJSPUVSCNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-5-4(7(11)14)3(13)1-2(12-5)6(9)10/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide?
2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.58 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119005211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).