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

C7H5ClF2N2O2 — CID 119004310

IUPAC2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-5-4(6(9)10)2(7(11)14)1-3(13)12-5/h1,6H,(H2,11,14)(H,12,13)
InChIKeyHJWORAPSNOAJJW-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.06
Rot. Bonds2

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

2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 119004310) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide
PubChem CID119004310
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-5-4(6(9)10)2(7(11)14)1-3(13)12-5/h1,6H,(H2,11,14)(H,12,13)
InChIKeyHJWORAPSNOAJJW-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide (CID 119004310) is 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide is NC(=O)c1cc(=O)[nH]c(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is HJWORAPSNOAJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-5-4(6(9)10)2(7(11)14)1-3(13)12-5/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide?
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-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-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 119004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).