5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one

C13H10F3NO2 — CID 82420858

IUPAC5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO2/c1-7-4-11(19)8(6-18)5-17(7)10-3-2-9(14)12(15)13(10)16/h2-5,18H,6H2,1H3
InChIKeyJOAYQFWUMLBPML-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.06
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one

5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one (PubChem CID 82420858) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
PubChem CID82420858
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO2/c1-7-4-11(19)8(6-18)5-17(7)10-3-2-9(14)12(15)13(10)16/h2-5,18H,6H2,1H3
InChIKeyJOAYQFWUMLBPML-UHFFFAOYSA-N
XLogP2.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)-3-pyridinyl]acetonitrile
CID 82420869
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420875
1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420457
6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridine-3-carbonitrile
CID 82420859
5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
CID 82420554
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one
CID 82421576
5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
CID 82420804
5-(butylaminomethyl)-1-(2,5-difluorophenyl)-2-methylpyridin-4-one
CID 82421579

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one (CID 82420858) is 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one is Cc1cc(=O)c(CO)cn1-c1ccc(F)c(F)c1F.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
The InChIKey is JOAYQFWUMLBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-7-4-11(19)8(6-18)5-17(7)10-3-2-9(14)12(15)13(10)16/h2-5,18H,6H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one has a molecular weight of 269.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one is sourced from PubChem (CID 82420858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).