2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine

C13H8Cl3N3 — CID 79292227

IUPAC2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl3N3/c14-6-12-18-9-7-17-5-4-10(9)19(12)11-3-1-2-8(15)13(11)16/h1-5,7H,6H2
InChIKeyDXXPVNVYWPGCQQ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.47
Rot. Bonds2

About 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine (PubChem CID 79292227) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
PubChem CID79292227
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl3N3/c14-6-12-18-9-7-17-5-4-10(9)19(12)11-3-1-2-8(15)13(11)16/h1-5,7H,6H2
InChIKeyDXXPVNVYWPGCQQ-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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Related Compounds

2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79291949
5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
CID 79273482
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
CID 104727625
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 107614265
2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 115378883
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 107637663
2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
CID 79292778

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine (CID 79292227) is 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine is ClCc1nc2cnccc2n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine?
The InChIKey is DXXPVNVYWPGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-6-12-18-9-7-17-5-4-10(9)19(12)11-3-1-2-8(15)13(11)16/h1-5,7H,6H2.
What are the key properties of 2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2,3-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-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).