1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one

C12H8Cl2INO — CID 79777883

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2INO/c13-9-2-1-8(11(14)5-9)6-16-7-10(15)3-4-12(16)17/h1-5,7H,6H2
InChIKeyQFWAFFUAVDHRJB-UHFFFAOYSA-N
MW380.01 g/mol
LogP3.81
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one

1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one (PubChem CID 79777883) has the molecular formula C12H8Cl2INO and a molecular weight of 380.01 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one
PubChem CID79777883
Molecular FormulaC12H8Cl2INO
Molecular Weight380.01 g/mol
Exact Mass378.90
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2INO/c13-9-2-1-8(11(14)5-9)6-16-7-10(15)3-4-12(16)17/h1-5,7H,6H2
InChIKeyQFWAFFUAVDHRJB-UHFFFAOYSA-N
XLogP3.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.01
LogP ≤ 53.81
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-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one (CID 79777883) is 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one is O=c1ccc(I)cn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one?
The InChIKey is QFWAFFUAVDHRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2INO/c13-9-2-1-8(11(14)5-9)6-16-7-10(15)3-4-12(16)17/h1-5,7H,6H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one?
1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one has a molecular weight of 380.01 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-iodopyridin-2-one is sourced from PubChem (CID 79777883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).