4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one

C12H10ClNO2 — CID 57497864

IUPAC4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)cc[nH]1
InChIInChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-16-11-5-6-14-12(15)7-11/h1-7H,8H2,(H,14,15)
InChIKeyAYZIQENJFUPTMZ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.61
Rot. Bonds3

About 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one

4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one (PubChem CID 57497864) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
PubChem CID57497864
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)cc[nH]1
InChIInChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-16-11-5-6-14-12(15)7-11/h1-7H,8H2,(H,14,15)
InChIKeyAYZIQENJFUPTMZ-UHFFFAOYSA-N
XLogP2.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one (CID 57497864) is 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one is O=c1cc(OCc2ccc(Cl)cc2)cc[nH]1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
The InChIKey is AYZIQENJFUPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-16-11-5-6-14-12(15)7-11/h1-7H,8H2,(H,14,15).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one has a molecular weight of 235.67 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 57497864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).