6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one

C12H11ClINO — CID 153451424

IUPAC6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
SMILESCN1C(=O)C(I)CC=C1c1ccccc1Cl
InChIInChI=1S/C12H11ClINO/c1-15-11(7-6-10(14)12(15)16)8-4-2-3-5-9(8)13/h2-5,7,10H,6H2,1H3
InChIKeyAGWYVFPIHQEKPW-UHFFFAOYSA-N
MW347.58 g/mol
LogP3.35
Rot. Bonds1

About 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one

6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one (PubChem CID 153451424) has the molecular formula C12H11ClINO and a molecular weight of 347.58 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
PubChem CID153451424
Molecular FormulaC12H11ClINO
Molecular Weight347.58 g/mol
Exact Mass346.96
IUPAC Name6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
SMILESCN1C(=O)C(I)CC=C1c1ccccc1Cl
InChIInChI=1S/C12H11ClINO/c1-15-11(7-6-10(14)12(15)16)8-4-2-3-5-9(8)13/h2-5,7,10H,6H2,1H3
InChIKeyAGWYVFPIHQEKPW-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one (CID 153451424) is 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one is CN1C(=O)C(I)CC=C1c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The InChIKey is AGWYVFPIHQEKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO/c1-15-11(7-6-10(14)12(15)16)8-4-2-3-5-9(8)13/h2-5,7,10H,6H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one has a molecular weight of 347.58 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).