4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide

C7H5ClF2N2O2 — CID 118850557

IUPAC4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2(6(11)13)1-12-7(14)3(4)5(9)10/h1,5H,(H2,11,13)(H,12,14)
InChIKeyCFKBVNGFBBZJAH-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.06
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide

4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 118850557) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID118850557
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF2N2O2/c8-4-2(6(11)13)1-12-7(14)3(4)5(9)10/h1,5H,(H2,11,13)(H,12,14)
InChIKeyCFKBVNGFBBZJAH-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 118850557) is 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c(=O)c(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CFKBVNGFBBZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-4-2(6(11)13)1-12-7(14)3(4)5(9)10/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
4-chloro-5-(difluoromethyl)-6-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 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118850557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).