2-chloro-3,6-dimethylimidazo[4,5-b]pyridine

C8H8ClN3 — CID 14929597

IUPAC2-chloro-3,6-dimethylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(Cl)n2C
InChIInChI=1S/C8H8ClN3/c1-5-3-6-7(10-4-5)12(2)8(9)11-6/h3-4H,1-2H3
InChIKeyFCBSRNBRLFSILK-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.93
Rot. Bonds

About 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine

2-chloro-3,6-dimethylimidazo[4,5-b]pyridine (PubChem CID 14929597) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-chloro-3,6-dimethylimidazo[4,5-b]pyridine
PubChem CID14929597
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name2-chloro-3,6-dimethylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(Cl)n2C
InChIInChI=1S/C8H8ClN3/c1-5-3-6-7(10-4-5)12(2)8(9)11-6/h3-4H,1-2H3
InChIKeyFCBSRNBRLFSILK-UHFFFAOYSA-N
XLogP1.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine (CID 14929597) is 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(Cl)n2C.
What is the InChIKey of 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine?
The InChIKey is FCBSRNBRLFSILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-3-6-7(10-4-5)12(2)8(9)11-6/h3-4H,1-2H3.
What are the key properties of 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine?
2-chloro-3,6-dimethylimidazo[4,5-b]pyridine has a molecular weight of 181.63 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 14929597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).