2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine

C13H8Cl3N3 — CID 79291949

IUPAC2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3/c14-6-13-18-10-7-17-4-3-12(10)19(13)11-2-1-8(15)5-9(11)16/h1-5,7H,6H2
InChIKeyIADSGOAYABLCEF-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.47
Rot. Bonds2

About 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine (PubChem CID 79291949) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
PubChem CID79291949
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3/c14-6-13-18-10-7-17-4-3-12(10)19(13)11-2-1-8(15)5-9(11)16/h1-5,7H,6H2
InChIKeyIADSGOAYABLCEF-UHFFFAOYSA-N
XLogP4.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine (CID 79291949) is 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine is ClCc1nc2cnccc2n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine?
The InChIKey is IADSGOAYABLCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-6-13-18-10-7-17-4-3-12(10)19(13)11-2-1-8(15)5-9(11)16/h1-5,7H,6H2.
What are the key properties of 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79291949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).