3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one

C12H10ClNO — CID 53217839

IUPAC3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc[nH]c2=O)cc1Cl
InChIInChI=1S/C12H10ClNO/c1-8-4-5-9(7-11(8)13)10-3-2-6-14-12(10)15/h2-7H,1H3,(H,14,15)
InChIKeyJZTQRUFOTYYMTK-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.00
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one

3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one (PubChem CID 53217839) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one
PubChem CID53217839
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc[nH]c2=O)cc1Cl
InChIInChI=1S/C12H10ClNO/c1-8-4-5-9(7-11(8)13)10-3-2-6-14-12(10)15/h2-7H,1H3,(H,14,15)
InChIKeyJZTQRUFOTYYMTK-UHFFFAOYSA-N
XLogP3.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one (CID 53217839) is 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one is Cc1ccc(-c2ccc[nH]c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one?
The InChIKey is JZTQRUFOTYYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-8-4-5-9(7-11(8)13)10-3-2-6-14-12(10)15/h2-7H,1H3,(H,14,15).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one?
3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one has a molecular weight of 219.67 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).