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1260665-41-5 | 2-Pyridinecarboxylic acid, 4-aMino-5-Methyl-, Methyl ester
CAS No: 1260665-41-5 Catalog No: AG000R0J MDL No:
Product Description
Catalog Number:
AG000R0J
Chemical Name:
2-Pyridinecarboxylic acid, 4-aMino-5-Methyl-, Methyl ester
CAS Number:
1260665-41-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
methyl 4-amino-5-methylpyridine-2-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-5-4-10-7(3-6(5)9)8(11)12-2/h3-4H,1-2H3,(H2,9,10)
InChI Key:
GIBDALIONVCQAL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)N)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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