6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one

C13H12ClNO — CID 58252401

IUPAC6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one
SMILESCc1ccc(Cc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C13H12ClNO/c1-9-2-7-12(15-13(9)16)8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyHMVSCNLAUMHOOC-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one

6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one (PubChem CID 58252401) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one
PubChem CID58252401
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one
SMILESCc1ccc(Cc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C13H12ClNO/c1-9-2-7-12(15-13(9)16)8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyHMVSCNLAUMHOOC-UHFFFAOYSA-N
XLogP2.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
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3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one (CID 58252401) is 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one is Cc1ccc(Cc2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is HMVSCNLAUMHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-2-7-12(15-13(9)16)8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one?
6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 233.70 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58252401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).