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1291487-29-0 molecular structure
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4-aminopyridine-2-carboxylic acid hydrochloride

ChemBase ID: 70485
Molecular Formular: C6H7ClN2O2
Molecular Mass: 174.58498
Monoisotopic Mass: 174.01960515
SMILES and InChIs

SMILES:
c1(cc(ccn1)N)C(=O)O.Cl
Canonical SMILES:
Nc1cc(ncc1)C(=O)O.Cl
InChI:
InChI=1S/C6H6N2O2.ClH/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H2,7,8)(H,9,10);1H
InChIKey:
HWUHHMYNWTYPRL-UHFFFAOYSA-N

Cite this record

CBID:70485 http://www.chembase.cn/molecule-70485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopyridine-2-carboxylic acid hydrochloride
IUPAC Traditional name
4-aminopyridine-2-carboxylic acid hydrochloride
Synonyms
4-Aminopicolinic acid hydrochloride
CAS Number
1291487-29-0
MDL Number
MFCD18837584
PubChem SID
162036201
PubChem CID
53393790

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.246582  H Acceptors
H Donor LogD (pH = 5.5) -1.7100266 
LogD (pH = 7.4) -1.7207103  Log P -1.710435 
Molar Refractivity 35.4857 cm3 Polarizability 12.960807 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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