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Home > Pyridines > 130633-67-9
130633-67-9 | 3-Pyridinecarboxamide, N-(3-chloro-2-methylphenyl)-
CAS No: 130633-67-9 Catalog No: AG000UPP MDL No:
Product Description
Catalog Number:
AG000UPP
Chemical Name:
3-Pyridinecarboxamide, N-(3-chloro-2-methylphenyl)-
CAS Number:
130633-67-9
Molecular Formula:
C13H11ClN2O
Molecular Weight:
246.6922
IUPAC Name:
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
InChI:
InChI=1S/C13H11ClN2O/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10/h2-8H,1H3,(H,16,17)
InChI Key:
IGPVOZRRFGYTIH-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Nc1cccc(c1C)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.694g/mol
Monoisotopic Mass:
246.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| 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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