3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one

C12H9Cl2NO — CID 133092464

IUPAC3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H9Cl2NO/c1-7-4-10(12(16)15-6-7)9-5-8(13)2-3-11(9)14/h2-6H,1H3,(H,15,16)
InChIKeyUUOPNFATPVWJRQ-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.66
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one

3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one (PubChem CID 133092464) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
PubChem CID133092464
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H9Cl2NO/c1-7-4-10(12(16)15-6-7)9-5-8(13)2-3-11(9)14/h2-6H,1H3,(H,15,16)
InChIKeyUUOPNFATPVWJRQ-UHFFFAOYSA-N
XLogP3.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093124
2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093162
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 123499878
4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82091639
4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092468
4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
CID 173098697
5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 46311954
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
5-cyclopropyl-3-(2,5-dichlorophenyl)-4,5-dimethyl-1H-pyrrol-2-one
CID 54346041
3-[[1-(3-chloro-2,6-difluorophenyl)propan-2-ylamino]methyl]-5-methyl-1H-pyridin-2-one
CID 155956396
7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 69328526

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one (CID 133092464) is 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is UUOPNFATPVWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-7-4-10(12(16)15-6-7)9-5-8(13)2-3-11(9)14/h2-6H,1H3,(H,15,16).
What are the key properties of 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one?
3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 254.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 133092464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).