1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one

C19H17FN2O3 — CID 123715809

IUPAC1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one
SMILESO=c1ccc(CO)cn1Cc1ccc(Cn2ccccc2=O)c(F)c1
InChIInChI=1S/C19H17FN2O3/c20-17-9-14(10-22-11-15(13-23)5-7-19(22)25)4-6-16(17)12-21-8-2-1-3-18(21)24/h1-9,11,23H,10,12-13H2
InChIKeyOPQVZTOAJCFTBP-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.74
Rot. Bonds5

About 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one

1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one (PubChem CID 123715809) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one
PubChem CID123715809
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one
SMILESO=c1ccc(CO)cn1Cc1ccc(Cn2ccccc2=O)c(F)c1
InChIInChI=1S/C19H17FN2O3/c20-17-9-14(10-22-11-15(13-23)5-7-19(22)25)4-6-16(17)12-21-8-2-1-3-18(21)24/h1-9,11,23H,10,12-13H2
InChIKeyOPQVZTOAJCFTBP-UHFFFAOYSA-N
XLogP1.74
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

n-Benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)acrylamide
CID 2373343
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75462001
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75462414
1-(4-(Hydroxymethyl)benzyl)pyridin-2(1H)-one
CID 90280157
5-(4-Fluorophenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 3353911
1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896680
1-(2-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896681
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764857
6-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,6-Dihydro-3-Pyridinecarboxylic Acid
CID 2775910
1-(3-fluorobenzyl)-4-hydroxypyridin-2(1H)-one
CID 54724162
3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)pyridin-2-one
CID 58110600
3-Bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one
CID 58217836

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one (CID 123715809) is 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one is O=c1ccc(CO)cn1Cc1ccc(Cn2ccccc2=O)c(F)c1.
What is the InChIKey of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one?
The InChIKey is OPQVZTOAJCFTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-17-9-14(10-22-11-15(13-23)5-7-19(22)25)4-6-16(17)12-21-8-2-1-3-18(21)24/h1-9,11,23H,10,12-13H2.
What are the key properties of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one?
1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one has a molecular weight of 340.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-5-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 123715809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).