2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine

C12H8Cl2IN — CID 118825049

IUPAC2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine
SMILESCc1cc(I)cnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2IN/c1-7-4-9(15)6-16-12(7)10-5-8(13)2-3-11(10)14/h2-6H,1H3
InChIKeyFZGKPWPVGOLCFR-UHFFFAOYSA-N
MW364.01 g/mol
LogP4.97
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine

2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine (PubChem CID 118825049) has the molecular formula C12H8Cl2IN and a molecular weight of 364.01 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine
PubChem CID118825049
Molecular FormulaC12H8Cl2IN
Molecular Weight364.01 g/mol
Exact Mass362.91
IUPAC Name2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine
SMILESCc1cc(I)cnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2IN/c1-7-4-9(15)6-16-12(7)10-5-8(13)2-3-11(10)14/h2-6H,1H3
InChIKeyFZGKPWPVGOLCFR-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine (CID 118825049) is 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine is Cc1cc(I)cnc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine?
The InChIKey is FZGKPWPVGOLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2IN/c1-7-4-9(15)6-16-12(7)10-5-8(13)2-3-11(10)14/h2-6H,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine?
2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine has a molecular weight of 364.01 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine is sourced from PubChem (CID 118825049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).