Home Carboxys methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate

methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate

CAS No.:
111043-01-7
Catalog Number:
AG00ITSY
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
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Product Description
Catalog Number:
AG00ITSY
Chemical Name:
methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CAS Number:
111043-01-7
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD00140980
IUPAC Name:
methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C9H7NO3S/c1-13-9(12)7-6(11)5-3-2-4-10-8(5)14-7/h2-4,11H,1H3
InChI Key:
VNGMVGWUWHNBBW-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1O)cccn2
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^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