1449598-85-9

1 2D Structure

1449598-85-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one

2.1.2 InChI

InChI=1S/C8H5FN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H

2.1.3 InChI Key

IJPUKUSYXQAGHU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NC(=CC(=O)N2C=C1F)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1449598-85-9

2. Mfcd28365090

3. 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one

4. 4h-pyrido[1,2-a]pyrimidin-4-one, 7-fluoro-2-hydroxy-

5. Schembl15175645

6. Ijpukusyxqaghu-uhfffaoysa-n

7. Akos037648741

8. Bs-15427

9. Sy322235

10. Cs-0147464

11. E73565

12. A937539

2.3 Create Date

2019-01-24

3 Chemical and Physical Properties

Molecular Formula	C₈H₅FN₂O₂
Molecular Weight	180.14 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52.9
Heavy Atom Count	13
Formal Charge	0
Complexity	393
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

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