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

C7H5ClF2N2O2 — CID 174330094

IUPAC6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(F)F)c1ccc(Cl)[nH]c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2-1-3(5(13)11-4)6(14)12-7(9)10/h1-2,7H,(H,11,13)(H,12,14)
InChIKeyRJTIYGGLFBSPKG-UHFFFAOYSA-N
MW222.58 g/mol
LogP0.98
Rot. Bonds2

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

6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 174330094) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID174330094
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(F)F)c1ccc(Cl)[nH]c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2-1-3(5(13)11-4)6(14)12-7(9)10/h1-2,7H,(H,11,13)(H,12,14)
InChIKeyRJTIYGGLFBSPKG-UHFFFAOYSA-N
XLogP0.98
TPSA61.96 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 174330094) is 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(NC(F)F)c1ccc(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RJTIYGGLFBSPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-4-2-1-3(5(13)11-4)6(14)12-7(9)10/h1-2,7H,(H,11,13)(H,12,14).
What are the key properties of 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.58 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 174330094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).