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1227570-90-2 molecular structure
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2-(4-aminopyridin-3-yl)acetic acid

ChemBase ID: 291590
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
O=C(O)Cc1c(N)ccnc1
Canonical SMILES:
Nc1ccncc1CC(=O)O
InChI:
InChI=1S/C7H8N2O2/c8-6-1-2-9-4-5(6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)
InChIKey:
SRQDNHUPZXMOOA-UHFFFAOYSA-N

Cite this record

CBID:291590 http://www.chembase.cn/molecule-291590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-aminopyridin-3-yl)acetic acid
IUPAC Traditional name
(4-aminopyridin-3-yl)acetic acid
Synonyms
2-(4-Aminopyridin-3-yl)acetic acid
CAS Number
1227570-90-2
MDL Number
MFCD16609332
PubChem SID
180677121
PubChem CID
64125792

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231652 Please log in.
Data Source Data ID
PubChem 64125792 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.731802  H Acceptors
H Donor LogD (pH = 5.5) -1.6454828 
LogD (pH = 7.4) -1.6671016  Log P -1.6493704 
Molar Refractivity 39.9091 cm3 Polarizability 14.800958 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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