1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-5-fluoro-6-methylpyrimidine

2.1.2 InChI

InChI=1S/C5H4ClFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3

2.1.3 InChI Key

GHMKXPYBLNJQIK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=NC=N1)Cl)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 898044-55-8

2. Amy109

3. Schembl1368468

4. Dtxsid50595890

5. Mfcd16988365

6. Zinc82046538

7. Akos011693631

8. Cs-w018883

9. Sb55736

10. Da-18299

11. Ds-16867

12. Ft-0750038

13. En300-62970

14. C77032

15. A861057

16. Z988984134

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₅H₄ClFN₂
Molecular Weight	146.55 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	25.8
Heavy Atom Count	9
Formal Charge	0
Complexity	101
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

AMY109