1-amino-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|1-amino-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|1-amino-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

General Information

Structure

Molecular Formula

C₇H₇N₃O₂

Molecular Mass

165.14938

Exact Mass

165.05382648

Charge

InChI

InChI=1S/C7H7N3O2/c1-4-2-6(11)10(9)7(12)5(4)3-8/h2,11H,9H2,1H3

InChIKey

OUAXESVQISPVRL-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(C)cc(n(c1=O)N)O

Isomeric Smiles

n1(c(=O)c(c(cc1O)C)C#N)N

Calculated Properties

JChem

Acid pKa

8.173587

H Acceptors

H Donor

LogD (pH = 5.5)

-0.08966519

LogD (pH = 7.4)

-0.15600073

Log P

-0.08841233

Molar Refractivity

53.1435

Polarizability

15.579684

Polar Surface Area

90.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-amino-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Synonyms

1-amino-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

IUPAC Traditional name

1-amino-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

Names and Identifiers

Registration numbers

PubChem SID

162215484

PubChem CID

13403832

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121131