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2D Structure
Also known as: 5h-pyrrolo[3,2-d]pyrimidine, 4-chloro-, 4-chloro-5h-pyrrolo(3,2-d)pyrimidine, Dtxsid50418676, 5h-pyrrolo(3,2-d)pyrimidine, 4-chloro-, Refchem:521517, Dtxcid00369523
Molecular Formula
C6H4ClN3
Molecular Weight
153.57  g/mol
InChI Key
ZGJDDWOXVGDTSP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-5H-pyrrolo[3,2-d]pyrimidine
2.1.2 InChI
InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H
2.1.3 InChI Key
ZGJDDWOXVGDTSP-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5h-pyrrolo[3,2-d]pyrimidine, 4-chloro-

2. 4-chloro-5h-pyrrolo(3,2-d)pyrimidine

3. Dtxsid50418676

4. 5h-pyrrolo(3,2-d)pyrimidine, 4-chloro-

5. Refchem:521517

6. Dtxcid00369523

7. 5h-pyrrolo3,2-dpyrimidine, 4-chloro-

8. 632-937-1

9. 84905-80-6

10. 4-chloro-5h-pyrrolo[3,2-d] Pyrimidine

11. Mfcd06658411

12. 4-chloropyrrolo[3,2-d]pyrimidine

13. Chembl5172968

14. Schembl8223

15. Schembl1374153

16. Schembl27664600

17. Gctfalkrtyvyfb-uhfffaoysa-n

18. Bcp16503

19. Cs-m3333

20. Bdbm50591485

21. Cl3423

22. Sbb086948

23. Akos005073881

24. Pb34131

25. Ss-3037

26. 5h-4-chloro-pyrrolo[3,2-d]pyrimidine

27. Ac-23267

28. Sy007647

29. En300-96120

30. 905c806

31. F079949

32. Z1198169463

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 153.57 g/mol
Molecular Formula C6H4ClN3
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area41.6
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1