N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide

C8H7F3N2O2 — CID 153397925

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide
SMILESO=CNc1cc(F)c(=O)n(CC(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-6-1-5(12-4-14)2-13(8(6)15)3-7(10)11/h1-2,4,7H,3H2,(H,12,14)
InChIKeyCWTCFPNASJFDJN-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.82
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide (PubChem CID 153397925) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide
PubChem CID153397925
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide
SMILESO=CNc1cc(F)c(=O)n(CC(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-6-1-5(12-4-14)2-13(8(6)15)3-7(10)11/h1-2,4,7H,3H2,(H,12,14)
InChIKeyCWTCFPNASJFDJN-UHFFFAOYSA-N
XLogP0.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 60922538
1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one
CID 69343595
5-(Methylamino)-1-(trifluoromethyl)pyridin-2-one
CID 123383374
5-Amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 146309484
5-Amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 146309500
(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide
CID 146323214
N-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]formamide
CID 174589451
N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide
CID 174604341
2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 55035707
2-(5-amino-2-oxo-1-pyridinyl)-N-(3,3,3-trifluoropropyl)acetamide
CID 55174936
5-Amino-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 60725597
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492443

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide (CID 153397925) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide is O=CNc1cc(F)c(=O)n(CC(F)F)c1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide?
The InChIKey is CWTCFPNASJFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-6-1-5(12-4-14)2-13(8(6)15)3-7(10)11/h1-2,4,7H,3H2,(H,12,14).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide has a molecular weight of 220.15 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 153397925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).