6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide

C7H5ClF2N2O2 — CID 69228345

IUPAC6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)n(C(F)F)c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2-1-3(5(11)13)6(14)12(4)7(9)10/h1-2,7H,(H2,11,13)
InChIKeySKNDYNBARSAQSD-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.00
Rot. Bonds2

About 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide

6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide (PubChem CID 69228345) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide
PubChem CID69228345
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)n(C(F)F)c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2-1-3(5(11)13)6(14)12(4)7(9)10/h1-2,7H,(H2,11,13)
InChIKeySKNDYNBARSAQSD-UHFFFAOYSA-N
XLogP1.00
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide (CID 69228345) is 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide is NC(=O)c1ccc(Cl)n(C(F)F)c1=O.
What is the InChIKey of 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is SKNDYNBARSAQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-4-2-1-3(5(11)13)6(14)12(4)7(9)10/h1-2,7H,(H2,11,13).
What are the key properties of 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide?
6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 222.58 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(difluoromethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 69228345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).