3-fluoro-1-methylpyridin-4-one

C6H6FNO — CID 121232049

IUPAC3-fluoro-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(F)c1
InChIInChI=1S/C6H6FNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3
InChIKeyZFNLGJHGZDEGOP-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.52
Rot. Bonds

About 3-fluoro-1-methylpyridin-4-one

3-fluoro-1-methylpyridin-4-one (PubChem CID 121232049) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluoro-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-fluoro-1-methylpyridin-4-one
PubChem CID121232049
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-fluoro-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(F)c1
InChIInChI=1S/C6H6FNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3
InChIKeyZFNLGJHGZDEGOP-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

(3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2063589
N-Methyl-4-pyridone
CID 136515
trans-4-(Dimethylamino)-3-buten-2-one
CID 5369152
(3E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one
CID 2779437
2-Fluoropyridin-4-ol
CID 2762834
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CID 5702851
4-(Dimethylamino)but-3-en-2-one
CID 566952
Pyridine, 2-chloro-1,4-dihydro-1-methyl-4-oxo-
CID 123233898
1-Vinyl-4-pyridone
CID 13695371
1-ethylpyridin-4(1H)-one
CID 53989259
(3Z)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2303874
4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2736882

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpyridin-4-one?
The IUPAC name of 3-fluoro-1-methylpyridin-4-one (CID 121232049) is 3-fluoro-1-methylpyridin-4-one.
What is the SMILES notation for 3-fluoro-1-methylpyridin-4-one?
The canonical SMILES for 3-fluoro-1-methylpyridin-4-one is Cn1ccc(=O)c(F)c1.
What is the InChIKey of 3-fluoro-1-methylpyridin-4-one?
The InChIKey is ZFNLGJHGZDEGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3.
What are the key properties of 3-fluoro-1-methylpyridin-4-one?
3-fluoro-1-methylpyridin-4-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 3-fluoro-1-methylpyridin-4-one is sourced from PubChem (CID 121232049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).