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Also known as: 1449598-85-9, Mfcd28365090, 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one, 4h-pyrido[1,2-a]pyrimidin-4-one, 7-fluoro-2-hydroxy-, Schembl15175645, Ijpukusyxqaghu-uhfffaoysa-n
Molecular Formula
C8H5FN2O2
Molecular Weight
180.14  g/mol
InChI Key
IJPUKUSYXQAGHU-UHFFFAOYSA-N

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 Weight 180.14 g/mol
Molecular Formula C8H5FN2O2
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area52.9
Heavy Atom Count13
Formal Charge0
Complexity393
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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