3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one

C18H11Cl4NO — CID 133092886

IUPAC3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2cc(Cl)cc(Cl)c2)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H11Cl4NO/c1-9-16(10-2-12(19)6-13(20)3-10)8-17(18(24)23-9)11-4-14(21)7-15(22)5-11/h2-8H,1H3,(H,23,24)
InChIKeyGHHOJNFOHKSCGG-UHFFFAOYSA-N
MW399.10 g/mol
LogP6.63
Rot. Bonds2

About 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one

3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one (PubChem CID 133092886) has the molecular formula C18H11Cl4NO and a molecular weight of 399.10 g/mol. Its IUPAC name is 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
PubChem CID133092886
Molecular FormulaC18H11Cl4NO
Molecular Weight399.10 g/mol
Exact Mass396.96
IUPAC Name3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2cc(Cl)cc(Cl)c2)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H11Cl4NO/c1-9-16(10-2-12(19)6-13(20)3-10)8-17(18(24)23-9)11-4-14(21)7-15(22)5-11/h2-8H,1H3,(H,23,24)
InChIKeyGHHOJNFOHKSCGG-UHFFFAOYSA-N
XLogP6.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.10
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
CID 133092874
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
5-(3-chloro-5-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 53222344
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride
CID 10643339
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one
CID 118802676
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136888745
2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 114015723
5-amino-3-(3-chlorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146296512

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one (CID 133092886) is 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(-c2cc(Cl)cc(Cl)c2)cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is GHHOJNFOHKSCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl4NO/c1-9-16(10-2-12(19)6-13(20)3-10)8-17(18(24)23-9)11-4-14(21)7-15(22)5-11/h2-8H,1H3,(H,23,24).
What are the key properties of 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one?
3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 399.10 g/mol, XLogP of 6.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 133092886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).