5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one

C14H14ClNO2 — CID 130371266

IUPAC5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(C(O)c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C14H14ClNO2/c1-9-7-11(8-16(2)14(9)18)13(17)10-3-5-12(15)6-4-10/h3-8,13,17H,1-2H3
InChIKeyXNVUJWMKSPMGCE-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.43
Rot. Bonds2

About 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one

5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one (PubChem CID 130371266) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
PubChem CID130371266
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(C(O)c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C14H14ClNO2/c1-9-7-11(8-16(2)14(9)18)13(17)10-3-5-12(15)6-4-10/h3-8,13,17H,1-2H3
InChIKeyXNVUJWMKSPMGCE-UHFFFAOYSA-N
XLogP2.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one (CID 130371266) is 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one is Cc1cc(C(O)c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one?
The InChIKey is XNVUJWMKSPMGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-7-11(8-16(2)14(9)18)13(17)10-3-5-12(15)6-4-10/h3-8,13,17H,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one?
5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one has a molecular weight of 263.72 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 130371266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).