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110457-42-6 molecular structure
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methyl 2-(methylamino)pyridine-3-carboxylate

ChemBase ID: 814639
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
O(C(=O)c1cccnc1NC)C
Canonical SMILES:
COC(=O)c1cccnc1NC
InChI:
InChI=1S/C8H10N2O2/c1-9-7-6(8(11)12-2)4-3-5-10-7/h3-5H,1-2H3,(H,9,10)
InChIKey:
OEFLXQWFXFCBSV-UHFFFAOYSA-N

Cite this record

CBID:814639 http://www.chembase.cn/molecule-814639.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(methylamino)pyridine-3-carboxylate
IUPAC Traditional name
methyl 2-(methylamino)pyridine-3-carboxylate
Synonyms
methyl 2-(methylamino)nicotinate
CAS Number
110457-42-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36839 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36839 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.96237  H Acceptors
H Donor LogD (pH = 5.5) 1.3577904 
LogD (pH = 7.4) 1.4745564  Log P 1.476286 
Molar Refractivity 46.4337 cm3 Polarizability 16.85625 Å3
Polar Surface Area 51.22 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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