5-(3-fluorophenyl)-2H-pyridin-3-one;formamide

C12H11FN2O2 — CID 174882375

IUPAC5-(3-fluorophenyl)-2H-pyridin-3-one;formamide
SMILESNC=O.O=C1C=C(c2cccc(F)c2)C=NC1
InChIInChI=1S/C11H8FNO.CH3NO/c12-10-3-1-2-8(4-10)9-5-11(14)7-13-6-9;2-1-3/h1-6H,7H2;1H,(H2,2,3)
InChIKeyUCXMHYUCGYSSBZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.96
Rot. Bonds1

About 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide

5-(3-fluorophenyl)-2H-pyridin-3-one;formamide (PubChem CID 174882375) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2H-pyridin-3-one;formamide
PubChem CID174882375
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-(3-fluorophenyl)-2H-pyridin-3-one;formamide
SMILESNC=O.O=C1C=C(c2cccc(F)c2)C=NC1
InChIInChI=1S/C11H8FNO.CH3NO/c12-10-3-1-2-8(4-10)9-5-11(14)7-13-6-9;2-1-3/h1-6H,7H2;1H,(H2,2,3)
InChIKeyUCXMHYUCGYSSBZ-UHFFFAOYSA-N
XLogP0.96
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.96
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

3-(3-fluorophenyl)cyclohexa-2,4-dien-1-one
CID 141217171
4-(3-fluorophenyl)imidazol-2-one
CID 130136379
4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83913752
4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 82106478
4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
CID 116900284
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365586
3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
CID 174470166
6-(3-fluorophenyl)-4,5-dihydropyridazin-3-amine
CID 64689905
acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;formic acid
CID 158586074
2,5-bis(3-fluorophenyl)-4H-imidazole
CID 148589288
2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
CID 131870663

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide?
The IUPAC name of 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide (CID 174882375) is 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide.
What is the SMILES notation for 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide?
The canonical SMILES for 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide is NC=O.O=C1C=C(c2cccc(F)c2)C=NC1.
What is the InChIKey of 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide?
The InChIKey is UCXMHYUCGYSSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO.CH3NO/c12-10-3-1-2-8(4-10)9-5-11(14)7-13-6-9;2-1-3/h1-6H,7H2;1H,(H2,2,3).
What are the key properties of 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide?
5-(3-fluorophenyl)-2H-pyridin-3-one;formamide has a molecular weight of 234.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2H-pyridin-3-one;formamide is sourced from PubChem (CID 174882375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).