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

C8H8F2N2O2 — CID 130084192

IUPAC3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)[nH]c(C(N)=O)c1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-3-2-4(13)12-6(8(11)14)5(3)7(9)10/h2,7H,1H3,(H2,11,14)(H,12,13)
InChIKeyVMDWROVXBSGWQE-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.72
Rot. Bonds2

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

3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 130084192) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID130084192
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)[nH]c(C(N)=O)c1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-3-2-4(13)12-6(8(11)14)5(3)7(9)10/h2,7H,1H3,(H2,11,14)(H,12,13)
InChIKeyVMDWROVXBSGWQE-UHFFFAOYSA-N
XLogP0.72
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 130084192) is 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(=O)[nH]c(C(N)=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VMDWROVXBSGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-3-2-4(13)12-6(8(11)14)5(3)7(9)10/h2,7H,1H3,(H2,11,14)(H,12,13).
What are the key properties of 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 130084192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).