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

C8H8F2N2O2 — CID 103766094

IUPACN-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H8F2N2O2/c9-6(10)4-12-8(14)5-1-2-11-7(13)3-5/h1-3,6H,4H2,(H,11,13)(H,12,14)
InChIKeyKKIBDNZWOGNCCE-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.37
Rot. Bonds3

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

N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103766094) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103766094
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC NameN-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H8F2N2O2/c9-6(10)4-12-8(14)5-1-2-11-7(13)3-5/h1-3,6H,4H2,(H,11,13)(H,12,14)
InChIKeyKKIBDNZWOGNCCE-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

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
2-Oxo-1,2-dihydropyridine-4-carboxamide
CID 2762509
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
1-ethyl-2-oxo-N-{2-[(trifluoromethyl)thio]ethyl}-1,2-dihydropyridine-4-carboxamide
CID 77080610
6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 95905654
2-oxo-N-(2-sulfanylethyl)-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 177680165
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
CID 69047390

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103766094) is N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide is O=C(NCC(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is KKIBDNZWOGNCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-6(10)4-12-8(14)5-1-2-11-7(13)3-5/h1-3,6H,4H2,(H,11,13)(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(2,2-difluoroethyl)-2-oxo-1H-pyridine-4-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)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103766094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).