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Home Halogens 8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

CAS No.:
17223-45-9
Catalog Number:
AG01AMDE
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
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Product Description
Catalog Number:
AG01AMDE
Chemical Name:
8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole
CAS Number:
17223-45-9
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
MDL Number:
MFCD03005789
IUPAC Name:
8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
InChI:
InChI=1S/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3
InChI Key:
KFCWIHUDWIRLEE-UHFFFAOYSA-N
SMILES:
CN1Cc2c(CC1)[nH]c1c2cc(Cl)cc1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.7g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties