3-(fluoromethyl)-1H-pyridin-2-one

C6H6FNO — CID 91151147

IUPAC3-(fluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CF
InChIInChI=1S/C6H6FNO/c7-4-5-2-1-3-8-6(5)9/h1-3H,4H2,(H,8,9)
InChIKeyGWUSLRUAXPESGE-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.84
Rot. Bonds1

About 3-(fluoromethyl)-1H-pyridin-2-one

3-(fluoromethyl)-1H-pyridin-2-one (PubChem CID 91151147) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-(fluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(fluoromethyl)-1H-pyridin-2-one
PubChem CID91151147
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-(fluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CF
InChIInChI=1S/C6H6FNO/c7-4-5-2-1-3-8-6(5)9/h1-3H,4H2,(H,8,9)
InChIKeyGWUSLRUAXPESGE-UHFFFAOYSA-N
XLogP0.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(fluoromethyl)-1H-pyridin-2-one (CID 91151147) is 3-(fluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(fluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(fluoromethyl)-1H-pyridin-2-one is O=c1[nH]cccc1CF.
What is the InChIKey of 3-(fluoromethyl)-1H-pyridin-2-one?
The InChIKey is GWUSLRUAXPESGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-4-5-2-1-3-8-6(5)9/h1-3H,4H2,(H,8,9).
What are the key properties of 3-(fluoromethyl)-1H-pyridin-2-one?
3-(fluoromethyl)-1H-pyridin-2-one has a molecular weight of 127.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 91151147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).