1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one

C12H9ClINO — CID 79785092

IUPAC1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
SMILESO=c1c(I)cccn1Cc1ccccc1Cl
InChIInChI=1S/C12H9ClINO/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(14)12(15)16/h1-7H,8H2
InChIKeyXGAZIDYVTCUTKE-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.15
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one

1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one (PubChem CID 79785092) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
PubChem CID79785092
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
SMILESO=c1c(I)cccn1Cc1ccccc1Cl
InChIInChI=1S/C12H9ClINO/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(14)12(15)16/h1-7H,8H2
InChIKeyXGAZIDYVTCUTKE-UHFFFAOYSA-N
XLogP3.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.15
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-chlorophenyl)methyl]-3-iodopyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one (CID 79785092) is 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one is O=c1c(I)cccn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one?
The InChIKey is XGAZIDYVTCUTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(14)12(15)16/h1-7H,8H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one?
1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one has a molecular weight of 345.57 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one is sourced from PubChem (CID 79785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).