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1060806-06-5 molecular structure
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4-amino-2-methylpyridine-3-carboxylic acid

ChemBase ID: 814694
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
OC(=O)c1c(ccnc1C)N
Canonical SMILES:
OC(=O)c1c(N)ccnc1C
InChI:
InChI=1S/C7H8N2O2/c1-4-6(7(10)11)5(8)2-3-9-4/h2-3H,1H3,(H2,8,9)(H,10,11)
InChIKey:
XMCUVSNLCJOLFB-UHFFFAOYSA-N

Cite this record

CBID:814694 http://www.chembase.cn/molecule-814694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2-methylpyridine-3-carboxylic acid
IUPAC Traditional name
4-amino-2-methylpyridine-3-carboxylic acid
Synonyms
4-amino-2-methylnicotinic acid
CAS Number
1060806-06-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36919 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36919 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.379326  H Acceptors
H Donor LogD (pH = 5.5) -1.312583 
LogD (pH = 7.4) -1.3211144  Log P -1.3143005 
Molar Refractivity 40.4492 cm3 Polarizability 14.708896 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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