ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one

C14H16FNO2 — CID 145323771

IUPACethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one
SMILESCC.O=c1ccc(F)cn1-c1ccc(CO)cc1
InChIInChI=1S/C12H10FNO2.C2H6/c13-10-3-6-12(16)14(7-10)11-4-1-9(8-15)2-5-11;1-2/h1-7,15H,8H2;1-2H3
InChIKeyOVCMULUSMKKUJY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.50
Rot. Bonds2

About ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one

ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one (PubChem CID 145323771) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Nameethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one
PubChem CID145323771
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Nameethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one
SMILESCC.O=c1ccc(F)cn1-c1ccc(CO)cc1
InChIInChI=1S/C12H10FNO2.C2H6/c13-10-3-6-12(16)14(7-10)11-4-1-9(8-15)2-5-11;1-2/h1-7,15H,8H2;1-2H3
InChIKeyOVCMULUSMKKUJY-UHFFFAOYSA-N
XLogP2.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one?
The IUPAC name of ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one (CID 145323771) is ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one is CC.O=c1ccc(F)cn1-c1ccc(CO)cc1.
What is the InChIKey of ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one?
The InChIKey is OVCMULUSMKKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2.C2H6/c13-10-3-6-12(16)14(7-10)11-4-1-9(8-15)2-5-11;1-2/h1-7,15H,8H2;1-2H3.
What are the key properties of ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one?
ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1-[4-(hydroxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 145323771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).