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Chemistry

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Also known as: 2088176-96-7, 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile, Lingdolinurad [inn], Qsn2xmw3ti, Chembl5314527, Schembl18629797

Molecular Formula

C₁₇H₁₂BrN₃O₂

Molecular Weight

370.2 g/mol

InChI Key

RQGCKMOCOOAGEG-UHFFFAOYSA-N

FDA UNII

QSN2XMW3TI

1 2D Structure

Lingdolinurad

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile

2.1.2 InChI

InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3

2.1.3 InChI Key

RQGCKMOCOOAGEG-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

QSN2XMW3TI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2088176-96-7

2. 3-bromo-5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxybenzonitrile

3. Lingdolinurad [inn]

4. Qsn2xmw3ti

5. Chembl5314527

6. Schembl18629797

7. Da-64983

8. Hy-156624

9. Cs-0886458

10. Benzonitrile, 3-bromo-5-((2-ethylimidazo(1,2-a)pyridin-3-yl)carbonyl)-2-hydroxy-

2.4 Create Date

2017-04-22

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₂BrN₃O₂
Molecular Weight	370.2 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	78.4
Heavy Atom Count	23
Formal Charge	0
Complexity	505
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