2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine

C10H11N3 — CID 59533552

IUPAC2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine
SMILESC=CCc1cnc2nc(C)[nH]c2c1
InChIInChI=1S/C10H11N3/c1-3-4-8-5-9-10(11-6-8)13-7(2)12-9/h3,5-6H,1,4H2,2H3,(H,11,12,13)
InChIKeyFACBEHLSBMWPQH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.99
Rot. Bonds2

About 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine

2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine (PubChem CID 59533552) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine
PubChem CID59533552
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine
SMILESC=CCc1cnc2nc(C)[nH]c2c1
InChIInChI=1S/C10H11N3/c1-3-4-8-5-9-10(11-6-8)13-7(2)12-9/h3,5-6H,1,4H2,2H3,(H,11,12,13)
InChIKeyFACBEHLSBMWPQH-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine (CID 59533552) is 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine is C=CCc1cnc2nc(C)[nH]c2c1.
What is the InChIKey of 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FACBEHLSBMWPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-4-8-5-9-10(11-6-8)13-7(2)12-9/h3,5-6H,1,4H2,2H3,(H,11,12,13).
What are the key properties of 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine?
2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 173.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59533552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).