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1379106-14-5 | 3-Pyridinecarboxylic acid, 4,6-diamino-, methyl ester
CAS No: 1379106-14-5 Catalog No: AG00142S MDL No:MFCD18204877
Product Description
Catalog Number:
AG00142S
Chemical Name:
3-Pyridinecarboxylic acid, 4,6-diamino-, methyl ester
CAS Number:
1379106-14-5
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD18204877
IUPAC Name:
methyl 4,6-diaminopyridine-3-carboxylate
InChI:
InChI=1S/C7H9N3O2/c1-12-7(11)4-3-10-6(9)2-5(4)8/h2-3H,1H3,(H4,8,9,10)
InChI Key:
ZDVSBFNPEPVZRI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1N)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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