2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine

C14H11N3O2 — CID 79795462

IUPAC2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C14H11N3O2/c1-8-4-10-14(15-6-8)17-13(16-10)9-2-3-11-12(5-9)19-7-18-11/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyBQVJWPYNAPIJFJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.66
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine

2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 79795462) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID79795462
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C14H11N3O2/c1-8-4-10-14(15-6-8)17-13(16-10)9-2-3-11-12(5-9)19-7-18-11/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyBQVJWPYNAPIJFJ-UHFFFAOYSA-N
XLogP2.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine (CID 79795462) is 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is BQVJWPYNAPIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-4-10-14(15-6-8)17-13(16-10)9-2-3-11-12(5-9)19-7-18-11/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 253.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79795462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).