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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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).