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1452-63-7 molecular structure
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pyridine-2-carbohydrazide

ChemBase ID: 19025
Molecular Formular: C6H7N3O
Molecular Mass: 137.13928
Monoisotopic Mass: 137.05891186
SMILES and InChIs

SMILES:
C(=O)(c1ncccc1)NN
Canonical SMILES:
NNC(=O)c1ccccn1
InChI:
InChI=1S/C6H7N3O/c7-9-6(10)5-3-1-2-4-8-5/h1-4H,7H2,(H,9,10)
InChIKey:
BAQLNPIEFOYKNB-UHFFFAOYSA-N

Cite this record

CBID:19025 http://www.chembase.cn/molecule-19025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-2-carbohydrazide
IUPAC Traditional name
pyridine-2-carbohydrazide
Synonyms
Picolinohydrazide
Pyridine-2-carboxylic acid hydrazide
2-Pyridinecarboxylic Acid Hydrazide, Picolinic Acid, 2-(Hydrazinocarbonyl)pyridine
2-Pyridinecarboxylic Hydrazide
Picolinic Hydrazide
Picolinoyl Hydrazide
Picolinoylhydrazine
Pyridine-2-carbohydrazide
2-Isoniazid
CAS Number
1452-63-7
MDL Number
MFCD00059782
PubChem SID
160982332
PubChem CID
255881

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.042358  H Acceptors
H Donor LogD (pH = 5.5) -0.30502123 
LogD (pH = 7.4) -0.30441946  Log P -0.30441168 
Molar Refractivity 37.0916 cm3 Polarizability 13.714657 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100 - 102°C expand Show data source
Hydrophobicity(logP)
-0.318 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - I821455 external link
An impurity of Isoniazid (I821450), which is an antibiotic for treatment of Mycobacterium tuberculosis and inhibits mycolic acid biosynthesis. Intermediate used for the synthesis of analogs of antitumor agent 1-acetyl-2-picolinoylhydrazine.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Brewer, G.A., et al.: Anal. Profiles. Drug. Subs., 6, 183 (1977)
  • • Weber, W.W., et al.: Clin. Pharmacokinet., 4, 401 (1977)
  • • Rutner, H., et al.: Cancer. Chem. Rep., 58, 803 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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