3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

C19H14ClF2NO2 — CID 54696634

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H14ClF2NO2/c20-16-2-1-3-17(22)14(16)10-15-18(24)8-9-23(19(15)25)11-12-4-6-13(21)7-5-12/h1-9,24H,10-11H2
InChIKeyXCXOOJFCABFMJS-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.12
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54696634) has the molecular formula C19H14ClF2NO2 and a molecular weight of 361.78 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54696634
Molecular FormulaC19H14ClF2NO2
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H14ClF2NO2/c20-16-2-1-3-17(22)14(16)10-15-18(24)8-9-23(19(15)25)11-12-4-6-13(21)7-5-12/h1-9,24H,10-11H2
InChIKeyXCXOOJFCABFMJS-UHFFFAOYSA-N
XLogP4.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54696634) is 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is XCXOOJFCABFMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2/c20-16-2-1-3-17(22)14(16)10-15-18(24)8-9-23(19(15)25)11-12-4-6-13(21)7-5-12/h1-9,24H,10-11H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 361.78 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54696634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).