1H-Imidazo 1 2-A Pyridin-4-Ium

Synopsis, Chemistry

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Also known as: Mpi, Schembl3563701, Q27463420

Molecular Formula

C₇H₇N₂+

Molecular Weight

119.14 g/mol

InChI Key

UTCSSFWDNNEEBH-UHFFFAOYSA-O

1 2D Structure

1H-Imidazo 1 2-A Pyridin-4-Ium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-imidazo[1,2-a]pyridin-4-ium

2.1.2 InChI

InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H/p+1

2.1.3 InChI Key

UTCSSFWDNNEEBH-UHFFFAOYSA-O

2.1.4 Canonical SMILES

C1=CC=[N+]2C=CNC2=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Mpi

2. Schembl3563701

3. Q27463420

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₇H₇N₂+
Molecular Weight	119.14 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	119.060923232 g/mol
Monoisotopic Mass	119.060923232 g/mol
Topological Polar Surface Area	19.9 Å²
Heavy Atom Count	9
Formal Charge	1
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1