1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one

C13H11F2NO2 — CID 82420920

IUPAC1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-8-4-13(18)9(7-17)6-16(8)10-2-3-11(14)12(15)5-10/h2-6,17H,7H2,1H3
InChIKeyHQRCYHBGFCCRRS-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.92
Rot. Bonds2

About 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one

1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one (PubChem CID 82420920) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
PubChem CID82420920
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-8-4-13(18)9(7-17)6-16(8)10-2-3-11(14)12(15)5-10/h2-6,17H,7H2,1H3
InChIKeyHQRCYHBGFCCRRS-UHFFFAOYSA-N
XLogP1.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one (CID 82420920) is 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one is Cc1cc(=O)c(CO)cn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The InChIKey is HQRCYHBGFCCRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-8-4-13(18)9(7-17)6-16(8)10-2-3-11(14)12(15)5-10/h2-6,17H,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one has a molecular weight of 251.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).