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13091-23-1 | Pyridine, 4-chloro-3-nitro-
CAS No: 13091-23-1 Catalog No: AG000V3Q MDL No:MFCD02683025
Product Description
Catalog Number:
AG000V3Q
Chemical Name:
Pyridine, 4-chloro-3-nitro-
CAS Number:
13091-23-1
Molecular Formula:
C5H3ClN2O2
Molecular Weight:
158.5425
MDL Number:
MFCD02683025
IUPAC Name:
4-chloro-3-nitropyridine
InChI:
InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
InChI Key:
JOTRPRKONYTVBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.541g/mol
Monoisotopic Mass:
157.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. | Journal of medicinal chemistry 20111222 |
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