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220000-87-3

220000-87-3 | N-Methyl-4-chloropyridine-2-carboxamide

CAS No: 220000-87-3 Catalog No: AG0035EA MDL No:MFCD02185921

Product Description

Catalog Number:
AG0035EA
Chemical Name:
N-Methyl-4-chloropyridine-2-carboxamide
CAS Number:
220000-87-3
Molecular Formula:
C7H7ClN2O
Molecular Weight:
170.5963
MDL Number:
MFCD02185921
IUPAC Name:
4-chloro-N-methylpyridine-2-carboxamide
InChI:
InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChI Key:
BGVBBMZMEKXUTR-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1cc(Cl)ccn1

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.596g/mol
Monoisotopic Mass:
170.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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