2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile manufacturers and suppliers on PharmaCompass

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Also known as: 1240948-72-4, 1h-pyrrole-3-carbonitrile, 2-chloro-5-(2-fluorophenyl)-, Schembl193441, Ytrfyxsosnpmdk-uhfffaoysa-n, Amy16478, Mfcd28404592
Molecular Formula
C11H6ClFN2
Molecular Weight
220.63  g/mol
InChI Key
YTRFYXSOSNPMDK-UHFFFAOYSA-N

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
1 2D Structure

2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
2.1.2 InChI
InChI=1S/C11H6ClFN2/c12-11-7(6-14)5-10(15-11)8-3-1-2-4-9(8)13/h1-5,15H
2.1.3 InChI Key
YTRFYXSOSNPMDK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C2=CC(=C(N2)Cl)C#N)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1240948-72-4

2. 1h-pyrrole-3-carbonitrile, 2-chloro-5-(2-fluorophenyl)-

3. Schembl193441

4. Ytrfyxsosnpmdk-uhfffaoysa-n

5. Amy16478

6. Mfcd28404592

7. Sb62609

8. Ac-31358

9. As-80085

10. Sy060299

11. Db-303059

12. Cs-0164568

13. 2-chloro-5-(2-fluorophenyl)pyrrole-3-carbonitrile

14. 2-chloro-5-(2-fluorophenyl)-1h-pyrrole-3-carbonitrile (vonoprazan Impurity Pound(c)

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 220.63 g/mol
Molecular Formula C11H6ClFN2
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area39.6
Heavy Atom Count15
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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