3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one

C19H16ClFN2O2 — CID 54696632

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCc1ccccn1
InChIInChI=1S/C19H16ClFN2O2/c20-16-5-3-6-17(21)14(16)12-15-18(24)8-11-23(19(15)25)10-7-13-4-1-2-9-22-13/h1-6,8-9,11,24H,7,10,12H2
InChIKeySAOUWCZCRUSYNZ-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.57
Rot. Bonds5

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one (PubChem CID 54696632) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one
PubChem CID54696632
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCc1ccccn1
InChIInChI=1S/C19H16ClFN2O2/c20-16-5-3-6-17(21)14(16)12-15-18(24)8-11-23(19(15)25)10-7-13-4-1-2-9-22-13/h1-6,8-9,11,24H,7,10,12H2
InChIKeySAOUWCZCRUSYNZ-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139576458
2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 839135
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
3-(4-fluorobenzyl)-4-hydroxy-1-[2-(2-pyridinyl)ethyl]-2(1H)-pyridinone
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3-(2,4-dichlorobenzyl)-4-hydroxy-1-(4-pyridinylmethyl)-2(1H)-pyridinone
CID 54696640
N-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
CID 10026002
3-(2-Chlorophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 10269791
3-(2-Chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
CID 10269856
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256713
US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperidyl)-2-[6-(trifluoromethyl)-3-pyridyl]ethyl]-6-fluoro-benzamide
CID 73672582
(4E)-5-(2,4-dichlorophenyl)-4-(1-hydroxyethylidene)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 651686
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(4-fluorophenyl)piperazino]-1-ethanone
CID 3302336

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one (CID 54696632) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCc1ccccn1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The InChIKey is SAOUWCZCRUSYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-16-5-3-6-17(21)14(16)12-15-18(24)8-11-23(19(15)25)10-7-13-4-1-2-9-22-13/h1-6,8-9,11,24H,7,10,12H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one has a molecular weight of 358.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 54696632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).