3-methyl-6H-imidazo[4,5-b]pyridin-4-ium

C7H8N3+ — CID 56990879

IUPAC3-methyl-6H-imidazo[4,5-b]pyridin-4-ium
SMILESCn1cnc2c1=[N+]=CCC=2
InChIInChI=1S/C7H8N3/c1-10-5-9-6-3-2-4-8-7(6)10/h3-5H,2H2,1H3/q+1
InChIKeyZHDNLINKJHTIGU-UHFFFAOYSA-N
MW134.16 g/mol
LogP-1.64
Rot. Bonds

About 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium

3-methyl-6H-imidazo[4,5-b]pyridin-4-ium (PubChem CID 56990879) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name3-methyl-6H-imidazo[4,5-b]pyridin-4-ium
PubChem CID56990879
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name3-methyl-6H-imidazo[4,5-b]pyridin-4-ium
SMILESCn1cnc2c1=[N+]=CCC=2
InChIInChI=1S/C7H8N3/c1-10-5-9-6-3-2-4-8-7(6)10/h3-5H,2H2,1H3/q+1
InChIKeyZHDNLINKJHTIGU-UHFFFAOYSA-N
XLogP-1.64
TPSA31.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6H-Imidazo[4,5-B]pyridine
CID 20072813
1-Methyl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 68029923
7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine
CID 123260315
7-Tert-butyl-2,3-dihydroimidazo[1,2-c]pyrimidine
CID 144986473
7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium
CID 140851081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium?
The IUPAC name of 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium (CID 56990879) is 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium?
The canonical SMILES for 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium is Cn1cnc2c1=[N+]=CCC=2.
What is the InChIKey of 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium?
The InChIKey is ZHDNLINKJHTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-10-5-9-6-3-2-4-8-7(6)10/h3-5H,2H2,1H3/q+1.
What are the key properties of 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium?
3-methyl-6H-imidazo[4,5-b]pyridin-4-ium has a molecular weight of 134.16 g/mol, XLogP of -1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6H-imidazo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 56990879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).