5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one

C14H13Cl2NO — CID 4538648

IUPAC5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-8-5-14(18)17-9(2)12(8)6-10-3-4-11(15)7-13(10)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyGHIDZVFAHLFUJK-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.89
Rot. Bonds2

About 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one

5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 4538648) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID4538648
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-8-5-14(18)17-9(2)12(8)6-10-3-4-11(15)7-13(10)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyGHIDZVFAHLFUJK-UHFFFAOYSA-N
XLogP3.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 930518
5-(2,4-Dichlorobenzyl)-2-hydroxy-4,6-dimethylnicotinonitrile
CID 3555443
4-(2-Chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 6324576
4-amino-6-[(E)-2-(3-chlorophenyl)ethenyl]-1H-pyridin-2-one
CID 145988332
4-(2-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329701
4-(4-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329704
(Z)-2-cyano-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683289
(E)-2-cyano-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683291
(E)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683296
(Z)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683308
2-Cyano-3-(2,4-dichlorophenyl)but-2-enamide
CID 141701414
4-[3-(2,4-dichlorophenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 2844770

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 4538648) is 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(=O)[nH]c(C)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is GHIDZVFAHLFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-8-5-14(18)17-9(2)12(8)6-10-3-4-11(15)7-13(10)16/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one?
5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 282.17 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 4538648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).