1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one

C13H10Cl2INO — CID 79784826

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2c(Cl)cccc2Cl)cc1I
InChIInChI=1S/C13H10Cl2INO/c1-8-5-13(18)17(7-12(8)16)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3
InChIKeyITTLNRDSYUZCSX-UHFFFAOYSA-N
MW394.04 g/mol
LogP4.12
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one

1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one (PubChem CID 79784826) has the molecular formula C13H10Cl2INO and a molecular weight of 394.04 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
PubChem CID79784826
Molecular FormulaC13H10Cl2INO
Molecular Weight394.04 g/mol
Exact Mass392.92
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
SMILESCc1cc(=O)n(Cc2c(Cl)cccc2Cl)cc1I
InChIInChI=1S/C13H10Cl2INO/c1-8-5-13(18)17(7-12(8)16)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3
InChIKeyITTLNRDSYUZCSX-UHFFFAOYSA-N
XLogP4.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.04
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one (CID 79784826) is 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one is Cc1cc(=O)n(Cc2c(Cl)cccc2Cl)cc1I.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one?
The InChIKey is ITTLNRDSYUZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2INO/c1-8-5-13(18)17(7-12(8)16)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one?
1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one has a molecular weight of 394.04 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one is sourced from PubChem (CID 79784826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).