CAS 95306-64-2

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CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
4 Related Intermediates

Chemistry

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Also known as: 95306-64-2, 4-amino-2-hydroxy-5-methylpyridine, 4-amino-5-methylpyridin-2(1h)-one, 4-amino-5-methyl-2(1h)-pyridinone, 4-amino-5-methyl-1h-pyridin-2-one, Mfcd12546373

Molecular Formula

C₆H₈N₂O

Molecular Weight

124.14 g/mol

InChI Key

SSQZBQXJYGNUSC-UHFFFAOYSA-N

1 2D Structure

CAS 95306-64-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-5-methyl-1H-pyridin-2-one

2.1.2 InChI

InChI=1S/C6H8N2O/c1-4-3-8-6(9)2-5(4)7/h2-3H,1H3,(H3,7,8,9)

2.1.3 InChI Key

SSQZBQXJYGNUSC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CNC(=O)C=C1N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 95306-64-2

2. 4-amino-2-hydroxy-5-methylpyridine

3. 4-amino-5-methylpyridin-2(1h)-one

4. 4-amino-5-methyl-2(1h)-pyridinone

5. 4-amino-5-methyl-1h-pyridin-2-one

6. Mfcd12546373

7. 2(1h)-pyridinone, 4-amino-5-methyl-

8. Ec 682-818-3

9. 4-amino-5-methyl-2-pyridone

10. Schembl2460386

11. Schembl18799988

12. Dtxsid00535408

13. Ssqzbqxjygnusc-uhfffaoysa-n

14. Amy18314

15. Akos006337543

16. Akos016013177

17. Cs-w022074

18. Sb52253

19. Ac-30730

20. As-47625

21. Sy020547

22. Db-082695

23. Ns00004169

24. F14705

25. En300-1294933

26. A859093

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₂O
Molecular Weight	124.14 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.1
Heavy Atom Count	9
Formal Charge	0
Complexity	203
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