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77314-81-9 | 2-(Dimethylamino);isonicotinic acid
CAS No: 77314-81-9 Catalog No: AG005BZJ MDL No:MFCD07643262
Product Description
Catalog Number:
AG005BZJ
Chemical Name:
2-(Dimethylamino);isonicotinic acid
CAS Number:
77314-81-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD07643262
IUPAC Name:
2-(dimethylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-10(2)7-5-6(8(11)12)3-4-9-7/h3-5H,1-2H3,(H,11,12)
InChI Key:
ONNSLUVHHJGCMH-UHFFFAOYSA-N
SMILES:
CN(c1nccc(c1)C(=O)O)C
Properties
Complexity:
170
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:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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