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29247-87-8 | 4-Pyridinecarboxylic acid, 2-iodo-, hydrazide
CAS No: 29247-87-8 Catalog No: AG002XTX MDL No:
Product Description
Catalog Number:
AG002XTX
Chemical Name:
4-Pyridinecarboxylic acid, 2-iodo-, hydrazide
CAS Number:
29247-87-8
Molecular Formula:
C6H6IN3O
Molecular Weight:
263.0358
IUPAC Name:
2-iodopyridine-4-carbohydrazide
InChI:
InChI=1S/C6H6IN3O/c7-5-3-4(1-2-9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChI Key:
UBGFSOJYQCZOQB-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccnc(c1)I
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.956g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.038g/mol
Monoisotopic Mass:
262.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Mode of action and quantitative structure-activity correlations of tuberculostatic drugs of the isonicotinic acid hydrazide type. | Journal of medicinal chemistry 19760401 |
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