N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide

C8H8F2N2O2 — CID 103337577

IUPACN-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C8H8F2N2O2/c9-7(10)4-12-8(14)5-3-11-2-1-6(5)13/h1-3,7H,4H2,(H,11,13)(H,12,14)
InChIKeyGNKSKZDJDJJEBW-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.37
Rot. Bonds3

About N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide

N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337577) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337577
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC NameN-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C8H8F2N2O2/c9-7(10)4-12-8(14)5-3-11-2-1-6(5)13/h1-3,7H,4H2,(H,11,13)(H,12,14)
InChIKeyGNKSKZDJDJJEBW-UHFFFAOYSA-N
XLogP0.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N(1)-Methyl-4-pyridone-5-carboxamide
CID 160670
4-Oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 154280654
4-Oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
CID 162310887
3-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-4-one
CID 164806286
3-(3,3-difluoropyrrolidin-1-ium-1-carbonyl)-1H-pyridin-4-one
CID 164806287
N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 102494175
4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103337060
4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
CID 103337216
4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 103337312
N-butyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103337345
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
CID 103337597

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337577) is N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(NCC(F)F)c1c[nH]ccc1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GNKSKZDJDJJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-7(10)4-12-8(14)5-3-11-2-1-6(5)13/h1-3,7H,4H2,(H,11,13)(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).