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100047-36-7 | 2-Pyridinecarboxylic acid, 4-amino-
CAS No: 100047-36-7 Catalog No: AG0000NM MDL No:MFCD02685671
Product Description
Catalog Number:
AG0000NM
Chemical Name:
2-Pyridinecarboxylic acid, 4-amino-
CAS Number:
100047-36-7
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD02685671
IUPAC Name:
4-aminopyridine-2-carboxylic acid
InChI:
InChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChI Key:
JRZBTJVSAANBEV-UHFFFAOYSA-N
SMILES:
Nc1cc(ncc1)C(=O)O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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