3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium

C10H14N3+ — CID 158502094

IUPAC3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium
SMILESCC[n+]1c(C)n(C)c2cccnc21
InChIInChI=1S/C10H14N3/c1-4-13-8(2)12(3)9-6-5-7-11-10(9)13/h5-7H,4H2,1-3H3/q+1
InChIKeyIUGDRQIFZBPEGN-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.19
Rot. Bonds1

About 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium

3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium (PubChem CID 158502094) has the molecular formula C10H14N3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium.

Molecular Properties

Compound Name3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium
PubChem CID158502094
Molecular FormulaC10H14N3+
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Name3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium
SMILESCC[n+]1c(C)n(C)c2cccnc21
InChIInChI=1S/C10H14N3/c1-4-13-8(2)12(3)9-6-5-7-11-10(9)13/h5-7H,4H2,1-3H3/q+1
InChIKeyIUGDRQIFZBPEGN-UHFFFAOYSA-N
XLogP1.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-propylimidazo[4,5-b]pyridine
CID 11768867
ethane;9-methylpyrido[2,3-b]indole;propane
CID 171072564
3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium
CID 88866559
1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium
CID 166501141
2,3-dimethyl-1-oxidopyrido[2,3-b]pyrazin-4-ium 4-oxide
CID 12594650
1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine
CID 148771611
5-ethyl-9-methylpyrido[3,2-b]indole
CID 171509495
1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
CID 121452821
9-methylpyrido[2,3-b]indole
CID 12596580
1,3-dimethyl-4-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 59284015
5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
CID 67988473
2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine
CID 146844121

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium?
The IUPAC name of 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium (CID 158502094) is 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium.
What is the SMILES notation for 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium?
The canonical SMILES for 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium is CC[n+]1c(C)n(C)c2cccnc21.
What is the InChIKey of 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium?
The InChIKey is IUGDRQIFZBPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3/c1-4-13-8(2)12(3)9-6-5-7-11-10(9)13/h5-7H,4H2,1-3H3/q+1.
What are the key properties of 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium?
3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium has a molecular weight of 176.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium is sourced from PubChem (CID 158502094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).