1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one

C13H11ClFNO2 — CID 82420457

IUPAC1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFNO2/c1-8-4-13(18)9(7-17)6-16(8)10-2-3-12(15)11(14)5-10/h2-6,17H,7H2,1H3
InChIKeyZOYPVRRAMJVQEL-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one

1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one (PubChem CID 82420457) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
PubChem CID82420457
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(CO)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFNO2/c1-8-4-13(18)9(7-17)6-16(8)10-2-3-12(15)11(14)5-10/h2-6,17H,7H2,1H3
InChIKeyZOYPVRRAMJVQEL-UHFFFAOYSA-N
XLogP2.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
3-[1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxo-3-pyridinyl]propanoic acid
CID 82420476
1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82420472
5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420858
1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
5-(chloromethyl)-1-(3-chloro-4-methylphenyl)-2-methylpyridin-4-one
CID 82419425
1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420458
5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
CID 82420473
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
CID 82422131
5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
CID 82420554

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one (CID 82420457) is 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one is Cc1cc(=O)c(CO)cn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The InChIKey is ZOYPVRRAMJVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-8-4-13(18)9(7-17)6-16(8)10-2-3-12(15)11(14)5-10/h2-6,17H,7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one has a molecular weight of 267.69 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).