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342899-39-2 | 3-Pyridinecarboxamide,2-chloro-N-(3-chloro-4-isoquinolinyl)-
CAS No: 342899-39-2 Catalog No: AG007GV8 MDL No:
Product Description
Catalog Number:
AG007GV8
Chemical Name:
3-Pyridinecarboxamide,2-chloro-N-(3-chloro-4-isoquinolinyl)-
CAS Number:
342899-39-2
Molecular Formula:
C15H9Cl2N3O
Molecular Weight:
318.1575
IUPAC Name:
2-chloro-N-(3-chloroisoquinolin-4-yl)pyridine-3-carboxamide
InChI:
InChI=1S/C15H9Cl2N3O/c16-13-11(6-3-7-18-13)15(21)20-12-10-5-2-1-4-9(10)8-19-14(12)17/h1-8H,(H,20,21)
InChI Key:
HJCPFBIJZZKHCK-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Cl)Nc1c(Cl)ncc2c1cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.157g/mol
Monoisotopic Mass:
317.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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