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

C15H13ClFNO2 — CID 54696639

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CC1
InChIInChI=1S/C15H13ClFNO2/c16-12-2-1-3-13(17)10(12)8-11-14(19)6-7-18(15(11)20)9-4-5-9/h1-3,6-7,9,19H,4-5,8H2
InChIKeyUJHYBEJAFQDNLM-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.27
Rot. Bonds3

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

3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one (PubChem CID 54696639) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one
PubChem CID54696639
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CC1
InChIInChI=1S/C15H13ClFNO2/c16-12-2-1-3-13(17)10(12)8-11-14(19)6-7-18(15(11)20)9-4-5-9/h1-3,6-7,9,19H,4-5,8H2
InChIKeyUJHYBEJAFQDNLM-UHFFFAOYSA-N
XLogP3.27
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.27
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-cyclopropyl-4-hydroxypyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one (CID 54696639) is 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one?
The InChIKey is UJHYBEJAFQDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-2-1-3-13(17)10(12)8-11-14(19)6-7-18(15(11)20)9-4-5-9/h1-3,6-7,9,19H,4-5,8H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-4-hydroxypyridin-2-one has a molecular weight of 293.72 g/mol, XLogP of 3.27, 3 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-cyclopropyl-4-hydroxypyridin-2-one is sourced from PubChem (CID 54696639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).