2-(fluoromethyl)-1H-pyridin-4-one

C6H6FNO — CID 84762203

IUPAC2-(fluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(CF)c1
InChIInChI=1S/C6H6FNO/c7-4-5-3-6(9)1-2-8-5/h1-3H,4H2,(H,8,9)
InChIKeySQQWGBGAGLYKOI-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.84
Rot. Bonds1

About 2-(fluoromethyl)-1H-pyridin-4-one

2-(fluoromethyl)-1H-pyridin-4-one (PubChem CID 84762203) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-1H-pyridin-4-one
PubChem CID84762203
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name2-(fluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(CF)c1
InChIInChI=1S/C6H6FNO/c7-4-5-3-6(9)1-2-8-5/h1-3H,4H2,(H,8,9)
InChIKeySQQWGBGAGLYKOI-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 2-(fluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(fluoromethyl)-1H-pyridin-4-one (CID 84762203) is 2-(fluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(fluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(CF)c1.
What is the InChIKey of 2-(fluoromethyl)-1H-pyridin-4-one?
The InChIKey is SQQWGBGAGLYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-4-5-3-6(9)1-2-8-5/h1-3H,4H2,(H,8,9).
What are the key properties of 2-(fluoromethyl)-1H-pyridin-4-one?
2-(fluoromethyl)-1H-pyridin-4-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 2-(fluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 84762203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).