2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine

C14H11Cl2N3 — CID 79289697

IUPAC2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(Cl)cc1-n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H11Cl2N3/c1-9-4-5-10(16)7-12(9)19-13(8-15)18-11-3-2-6-17-14(11)19/h2-7H,8H2,1H3
InChIKeyNKNMQOHLFPNERD-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.12
Rot. Bonds2

About 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79289697) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID79289697
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(Cl)cc1-n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H11Cl2N3/c1-9-4-5-10(16)7-12(9)19-13(8-15)18-11-3-2-6-17-14(11)19/h2-7H,8H2,1H3
InChIKeyNKNMQOHLFPNERD-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

3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 81275001
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828
2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
CID 66081223
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104724676
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine (CID 79289697) is 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine is Cc1ccc(Cl)cc1-n1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is NKNMQOHLFPNERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-9-4-5-10(16)7-12(9)19-13(8-15)18-11-3-2-6-17-14(11)19/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[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-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79289697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).