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36226-31-0

36226-31-0 | [(pyridin-2-yl)methyl]urea

CAS No: 36226-31-0 Catalog No: AG00IREO MDL No:MFCD00276112

Product Description

Catalog Number:
AG00IREO
Chemical Name:
[(pyridin-2-yl)methyl]urea
CAS Number:
36226-31-0
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD00276112
IUPAC Name:
pyridin-2-ylmethylurea
InChI:
InChI=1S/C7H9N3O/c8-7(11)10-5-6-3-1-2-4-9-6/h1-4H,5H2,(H3,8,10,11)
InChI Key:
UAQLROVGGYZQRC-UHFFFAOYSA-N
SMILES:
NC(=O)NCc1ccccn1

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Literature

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

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