5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one

C14H12F3NO2 — CID 82420554

IUPAC5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c1-9-6-13(20)10(8-19)7-18(9)12-5-3-2-4-11(12)14(15,16)17/h2-7,19H,8H2,1H3
InChIKeyDKZOMEIHIGKRLJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.66
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one

5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 82420554) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID82420554
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c1-9-6-13(20)10(8-19)7-18(9)12-5-3-2-4-11(12)14(15,16)17/h2-7,19H,8H2,1H3
InChIKeyDKZOMEIHIGKRLJ-UHFFFAOYSA-N
XLogP2.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420858
1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82419865
1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420457
5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419866
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
CID 82419586
2-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]acetonitrile
CID 82420573
1-[2-(hydroxymethyl)phenyl]-4-(trifluoromethyl)quinolin-2-one
CID 22279153
1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465491
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
1-[2-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884766
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one (CID 82420554) is 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one is Cc1cc(=O)c(CO)cn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is DKZOMEIHIGKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-6-13(20)10(8-19)7-18(9)12-5-3-2-4-11(12)14(15,16)17/h2-7,19H,8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one?
5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 283.25 g/mol, XLogP of 2.66, 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-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 82420554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).