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435342-14-6 molecular structure
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2-hydrazinylpyridine-3-carboxylic acid hydrochloride

ChemBase ID: 12955
Molecular Formular: C6H8ClN3O2
Molecular Mass: 189.59962
Monoisotopic Mass: 189.03050419
SMILES and InChIs

SMILES:
c1cnc(c(c1)C(=O)O)NN.Cl
Canonical SMILES:
NNc1ncccc1C(=O)O.Cl
InChI:
InChI=1S/C6H7N3O2.ClH/c7-9-5-4(6(10)11)2-1-3-8-5;/h1-3H,7H2,(H,8,9)(H,10,11);1H
InChIKey:
DRHWFYLEQVYZLA-UHFFFAOYSA-N

Cite this record

CBID:12955 http://www.chembase.cn/molecule-12955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinylpyridine-3-carboxylic acid hydrochloride
IUPAC Traditional name
2-hydrazinylpyridine-3-carboxylic acid hydrochloride
Synonyms
2-Hydrazino-nicotinic acid hydrochloride
CAS Number
435342-14-6
MDL Number
MFCD06800796
PubChem SID
160976262
PubChem CID
45074822

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
010371 external link Add to cart Please log in.
Data Source Data ID
PubChem 45074822 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0309603  H Acceptors
H Donor LogD (pH = 5.5) -0.67057484 
LogD (pH = 7.4) -0.7033943  Log P -0.6711705 
Molar Refractivity 41.1775 cm3 Polarizability 14.391857 Å3
Polar Surface Area 88.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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