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824953-01-7 | 3-Pyridinecarboxamide, N-[2-(2-bromo-4-pyridinyl)phenyl]-2-chloro-
CAS No: 824953-01-7 Catalog No: AG00504G MDL No:
Product Description
Catalog Number:
AG00504G
Chemical Name:
3-Pyridinecarboxamide, N-[2-(2-bromo-4-pyridinyl)phenyl]-2-chloro-
CAS Number:
824953-01-7
Molecular Formula:
C17H11BrClN3O
Molecular Weight:
388.6457
IUPAC Name:
N-[2-(2-bromopyridin-4-yl)phenyl]-2-chloropyridine-3-carboxamide
InChI:
InChI=1S/C17H11BrClN3O/c18-15-10-11(7-9-20-15)12-4-1-2-6-14(12)22-17(23)13-5-3-8-21-16(13)19/h1-10H,(H,22,23)
InChI Key:
CNTOOYSUDLZGBK-UHFFFAOYSA-N
SMILES:
Brc1nccc(c1)c1ccccc1NC(=O)c1cccnc1Cl
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.977g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.649g/mol
Monoisotopic Mass:
386.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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