1-(4-chlorophenyl)-3-hydroxypyridin-4-one

C11H8ClNO2 — CID 178047522

IUPAC1-(4-chlorophenyl)-3-hydroxypyridin-4-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C11H8ClNO2/c12-8-1-3-9(4-2-8)13-6-5-10(14)11(15)7-13/h1-7,15H
InChIKeyNWXHJFBJUFMUFP-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-chlorophenyl)-3-hydroxypyridin-4-one

1-(4-chlorophenyl)-3-hydroxypyridin-4-one (PubChem CID 178047522) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxypyridin-4-one
PubChem CID178047522
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name1-(4-chlorophenyl)-3-hydroxypyridin-4-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C11H8ClNO2/c12-8-1-3-9(4-2-8)13-6-5-10(14)11(15)7-13/h1-7,15H
InChIKeyNWXHJFBJUFMUFP-UHFFFAOYSA-N
XLogP2.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxypyridin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxypyridin-4-one (CID 178047522) is 1-(4-chlorophenyl)-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxypyridin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxypyridin-4-one is O=c1ccn(-c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxypyridin-4-one?
The InChIKey is NWXHJFBJUFMUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-8-1-3-9(4-2-8)13-6-5-10(14)11(15)7-13/h1-7,15H.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxypyridin-4-one?
1-(4-chlorophenyl)-3-hydroxypyridin-4-one has a molecular weight of 221.64 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxypyridin-4-one is sourced from PubChem (CID 178047522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).