2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one

C8H6FN3O — CID 177136802

IUPAC2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(F)c1-c1ncc[nH]1
InChIInChI=1S/C8H6FN3O/c9-7-6(5(13)1-2-10-7)8-11-3-4-12-8/h1-4H,(H,10,13)(H,11,12)
InChIKeyYNMOXJQNTGICLN-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.90
Rot. Bonds1

About 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one

2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one (PubChem CID 177136802) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
PubChem CID177136802
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(F)c1-c1ncc[nH]1
InChIInChI=1S/C8H6FN3O/c9-7-6(5(13)1-2-10-7)8-11-3-4-12-8/h1-4H,(H,10,13)(H,11,12)
InChIKeyYNMOXJQNTGICLN-UHFFFAOYSA-N
XLogP0.90
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(1H-imidazol-2-yl)prop-2-en-1-one
CID 19824183
Methacryloyl imidazole
CID 53908066
1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-one
CID 15215849
1,1-difluoro-3-(1H-imidazol-2-yl)propan-2-one
CID 121602090
1-(1H-imidazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130564742
2-(1H-imidazol-2-yl)cyclopent-2-en-1-one
CID 53635287
2,4-bis(1H-imidazol-2-yl)penta-1,4-dien-3-one
CID 54554918
5-(dimethylamino)-2-(1H-imidazol-2-yl)-4,4-dimethylpent-1-en-3-one
CID 70571931
2-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-one
CID 89077232
2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
CID 89178983
2-amino-3-(1H-imidazol-2-yl)-3H-pyridin-4-one
CID 89178985
4-bromo-2-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-one
CID 91064444

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one (CID 177136802) is 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one is O=c1cc[nH]c(F)c1-c1ncc[nH]1.
What is the InChIKey of 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
The InChIKey is YNMOXJQNTGICLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-7-6(5(13)1-2-10-7)8-11-3-4-12-8/h1-4H,(H,10,13)(H,11,12).
What are the key properties of 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one has a molecular weight of 179.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 177136802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).