ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium

C10H15N2+ — CID 91365569

IUPACethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium
SMILESCC.CC1=[n+]2ccccc2=NC1
InChIInChI=1S/C8H9N2.C2H6/c1-7-6-9-8-4-2-3-5-10(7)8;1-2/h2-5H,6H2,1H3;1-2H3/q+1;
InChIKeyFOGWKHBMIUXPCX-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.03
Rot. Bonds

About ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium

ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 91365569) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Nameethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium
PubChem CID91365569
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Nameethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium
SMILESCC.CC1=[n+]2ccccc2=NC1
InChIInChI=1S/C8H9N2.C2H6/c1-7-6-9-8-4-2-3-5-10(7)8;1-2/h2-5H,6H2,1H3;1-2H3/q+1;
InChIKeyFOGWKHBMIUXPCX-UHFFFAOYSA-N
XLogP1.03
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyleneimidazo[1,2-a]pyridin-4-ium
CID 24198573
2h-Pyrido-[1,2-a]pyrimidine
CID 20222720
2H-imidazo[1,2-a]pyridin-4-ium
CID 23565484
Pyrido-[1,2-a]-1,3-diazepine
CID 129798958
1-ethenyl-5-fluoro-N-methylpyridin-2-imine
CID 68334595
4-Ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium
CID 69092720
6-chloro-3H-imidazo[1,2-a]pyridin-3-ide;palladium(2+);prop-1-ene
CID 134856117
(1-Methyl-2-pyridinylidene)cyanamide
CID 139235944
N-ethyl-[1,2,4]thiadiazolo[4,3-a]pyridin-3-imine
CID 168329087
(2E)-N-Cyclopropyl-1-methylpyridin-2(1H)-imine
CID 45088176
4-Methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium
CID 162563899
2-(Azaethylidene)-1-methylhydropyridine
CID 4463569

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium (CID 91365569) is ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium is CC.CC1=[n+]2ccccc2=NC1.
What is the InChIKey of ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is FOGWKHBMIUXPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2.C2H6/c1-7-6-9-8-4-2-3-5-10(7)8;1-2/h2-5H,6H2,1H3;1-2H3/q+1;.
What are the key properties of ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium?
ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 163.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 91365569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).