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91702-88-4 | 5-(Methylamino)nicotinic Acid
CAS No: 91702-88-4 Catalog No: AG00345U MDL No:MFCD04971939
Product Description
Catalog Number:
AG00345U
Chemical Name:
5-(Methylamino)nicotinic Acid
CAS Number:
91702-88-4
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD04971939
IUPAC Name:
5-(methylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O2/c1-8-6-2-5(7(10)11)3-9-4-6/h2-4,8H,1H3,(H,10,11)
InChI Key:
XZSWHQCDTYJZJA-UHFFFAOYSA-N
SMILES:
CNc1cncc(c1)C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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