1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one

C13H14FNO2 — CID 144880705

IUPAC1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one
SMILESO=C1CCC=CN1Cc1ccc(CO)cc1F
InChIInChI=1S/C13H14FNO2/c14-12-7-10(9-16)4-5-11(12)8-15-6-2-1-3-13(15)17/h2,4-7,16H,1,3,8-9H2
InChIKeyMFDVVMPDQYOPQA-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.95
Rot. Bonds3

About 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one

1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one (PubChem CID 144880705) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one
PubChem CID144880705
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one
SMILESO=C1CCC=CN1Cc1ccc(CO)cc1F
InChIInChI=1S/C13H14FNO2/c14-12-7-10(9-16)4-5-11(12)8-15-6-2-1-3-13(15)17/h2,4-7,16H,1,3,8-9H2
InChIKeyMFDVVMPDQYOPQA-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
1-(4-(Hydroxymethyl)benzyl)pyridin-2(1H)-one
CID 90280157
tert-butyl N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-N-methyl-carbamate
CID 58070399
4-[N-(2-Fluoroethyl)-N-methylaminomethyl]benzyl alcohol
CID 58767200
3-Fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 63074770
1-[(3,4-Difluorophenyl)-[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 66873029
[3-Fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid
CID 67479420
1-(4-(hydroxymethyl)benzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 110005116
N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
CID 118212468
Methyl 1-[[2,3-difluoro-4-(hydroxymethyl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118212556
1-[[2-Fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212625
1-[[2,5-Difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212736

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one (CID 144880705) is 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one is O=C1CCC=CN1Cc1ccc(CO)cc1F.
What is the InChIKey of 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one?
The InChIKey is MFDVVMPDQYOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-12-7-10(9-16)4-5-11(12)8-15-6-2-1-3-13(15)17/h2,4-7,16H,1,3,8-9H2.
What are the key properties of 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one?
1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one has a molecular weight of 235.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 144880705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).