6-propan-2-yl-2H-imidazo[4,5-b]pyridine

C9H11N3 — CID 167662831

IUPAC6-propan-2-yl-2H-imidazo[4,5-b]pyridine
SMILESCC(C)c1cnc2c(c1)=NCN=2
InChIInChI=1S/C9H11N3/c1-6(2)7-3-8-9(10-4-7)12-5-11-8/h3-4,6H,5H2,1-2H3
InChIKeyIOEQRTMZCHPTAP-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.42
Rot. Bonds1

About 6-propan-2-yl-2H-imidazo[4,5-b]pyridine

6-propan-2-yl-2H-imidazo[4,5-b]pyridine (PubChem CID 167662831) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 6-propan-2-yl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-2H-imidazo[4,5-b]pyridine
PubChem CID167662831
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name6-propan-2-yl-2H-imidazo[4,5-b]pyridine
SMILESCC(C)c1cnc2c(c1)=NCN=2
InChIInChI=1S/C9H11N3/c1-6(2)7-3-8-9(10-4-7)12-5-11-8/h3-4,6H,5H2,1-2H3
InChIKeyIOEQRTMZCHPTAP-UHFFFAOYSA-N
XLogP0.42
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-propan-2-yl-2H-imidazo[4,5-b]pyridine (CID 167662831) is 6-propan-2-yl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-propan-2-yl-2H-imidazo[4,5-b]pyridine is CC(C)c1cnc2c(c1)=NCN=2.
What is the InChIKey of 6-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The InChIKey is IOEQRTMZCHPTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(2)7-3-8-9(10-4-7)12-5-11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-propan-2-yl-2H-imidazo[4,5-b]pyridine?
6-propan-2-yl-2H-imidazo[4,5-b]pyridine has a molecular weight of 161.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 167662831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).