5-fluoro-1-methylpyridin-2-one

C6H6FNO — CID 12909037

IUPAC5-fluoro-1-methylpyridin-2-one
SMILESCn1cc(F)ccc1=O
InChIInChI=1S/C6H6FNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKeyMZSVPTRXUHRPHP-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.52
Rot. Bonds

About 5-fluoro-1-methylpyridin-2-one

5-fluoro-1-methylpyridin-2-one (PubChem CID 12909037) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 5-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methylpyridin-2-one
PubChem CID12909037
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name5-fluoro-1-methylpyridin-2-one
SMILESCn1cc(F)ccc1=O
InChIInChI=1S/C6H6FNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKeyMZSVPTRXUHRPHP-UHFFFAOYSA-N
XLogP0.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2(1H)-pyridinone
CID 12755
2(1H)-Pyridinone, 1-ethyl-
CID 139434
3-Fluoro-2-hydroxypyridine
CID 2783363
5-Bromo-1-(difluoromethyl)-1,2-dihydropyridin-2-one
CID 23115994
5-Fluoro-2-hydroxypyridine
CID 2762864
5-Bromo-1-methylpyridin-2(1H)-one
CID 13024027
1-(Difluoromethyl)-1,2-dihydropyridin-2-one
CID 23054858
5-Iodo-1-methylpyridin-2(1H)-one
CID 23424310
1-(2-Methylprop-1-enyl)pyridin-2-one
CID 321774
2(1H)-Pyridinone, 1-ethenyl-
CID 577669
1-(Difluoromethyl)-5-iodopyridin-2(1H)-one
CID 119019439
1-Fluoropyridin-2(1H)-one
CID 13061044

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-fluoro-1-methylpyridin-2-one (CID 12909037) is 5-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-methylpyridin-2-one is Cn1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-methylpyridin-2-one?
The InChIKey is MZSVPTRXUHRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3.
What are the key properties of 5-fluoro-1-methylpyridin-2-one?
5-fluoro-1-methylpyridin-2-one has a molecular weight of 127.12 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 12909037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).