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16250-08-1 molecular structure
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6-aminopyridine-3-sulfonic acid

ChemBase ID: 89232
Molecular Formular: C5H6N2O3S
Molecular Mass: 174.17774
Monoisotopic Mass: 174.00991306
SMILES and InChIs

SMILES:
n1c(ccc(c1)S(=O)(=O)O)N
Canonical SMILES:
Nc1ccc(cn1)S(=O)(=O)O
InChI:
InChI=1S/C5H6N2O3S/c6-5-2-1-4(3-7-5)11(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)
InChIKey:
YXFLGKSXYWHALA-UHFFFAOYSA-N

Cite this record

CBID:89232 http://www.chembase.cn/molecule-89232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-aminopyridine-3-sulfonic acid
IUPAC Traditional name
6-aminopyridine-3-sulfonic acid
Synonyms
2-Aminopyridine-5-sulphonic acid
2-Amino-5-sulphopyridine
6-Aminopyridine-3-sulphonic acid
2-Amino-5-pyridinesulfonic Acid
6-Amino-3-pyridinesulfonic Acid
Pyridin-2-amino-5-sulfonic Acid
Pyridine-2-amino-5-sulfonic Acid
2-Aminopyridine-5-sulfonic Acid
CAS Number
16250-08-1
MDL Number
MFCD00160315
PubChem SID
162076114
PubChem CID
459533

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 459533 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -4.2893763  H Acceptors
H Donor LogD (pH = 5.5) -2.8053327 
LogD (pH = 7.4) -2.6774065  Log P -2.964814 
Molar Refractivity 39.5375 cm3 Polarizability 15.298223 Å3
Polar Surface Area 93.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Off-Whie Solid expand Show data source
Melting Point
>300°C expand Show data source
326(dec.)°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon/Store at -20°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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