3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one

C14H14ClNO2 — CID 119072918

IUPAC3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(Cl)cc1-c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C14H14ClNO2/c1-8-6-12(14(17)16-9(8)2)11-7-10(15)4-5-13(11)18-3/h4-7H,1-3H3,(H,16,17)
InChIKeyNEAPJJBMERQRDO-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.32
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one

3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 119072918) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one
PubChem CID119072918
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(Cl)cc1-c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C14H14ClNO2/c1-8-6-12(14(17)16-9(8)2)11-7-10(15)4-5-13(11)18-3/h4-7H,1-3H3,(H,16,17)
InChIKeyNEAPJJBMERQRDO-UHFFFAOYSA-N
XLogP3.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one (CID 119072918) is 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one is COc1ccc(Cl)cc1-c1cc(C)c(C)[nH]c1=O.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is NEAPJJBMERQRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-8-6-12(14(17)16-9(8)2)11-7-10(15)4-5-13(11)18-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one?
3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 263.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 119072918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).