2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine

C14H11Cl2N3 — CID 79293061

IUPAC2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c1-9-5-6-17-14-13(9)18-12(8-15)19(14)11-4-2-3-10(16)7-11/h2-7H,8H2,1H3
InChIKeyYTITURCDFPLMOX-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.12
Rot. Bonds2

About 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293061) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293061
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c1-9-5-6-17-14-13(9)18-12(8-15)19(14)11-4-2-3-10(16)7-11/h2-7H,8H2,1H3
InChIKeyYTITURCDFPLMOX-UHFFFAOYSA-N
XLogP4.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.12
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)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293210
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79294083
2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine
CID 79275730
5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile
CID 79276502
3-(1-benzothiophen-5-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79278127
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293211
2-(2-chloroethyl)-3-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine (CID 79293061) is 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2-c1cccc(Cl)c1.
What is the InChIKey of 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is YTITURCDFPLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-9-5-6-17-14-13(9)18-12(8-15)19(14)11-4-2-3-10(16)7-11/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 292.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).