1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-bromo-4-fluoro-3-propan-2-ylimidazo[4,5-c]pyridine

2.1.2 InChI

InChI=1S/C9H9BrFN3/c1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14/h3-5H,1-2H3

2.1.3 InChI Key

ADCIMBUZYWXIAF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N1C=NC2=CC(=NC(=C21)F)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl21989604

2. Cs-0374544

3. 2375594-89-9

2.3 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₉BrFN₃
Molecular Weight	258.09 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	30.7
Heavy Atom Count	14
Formal Charge	0
Complexity	214
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

CAS 2375594-89-9