sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-Chloro-5,6-dimethylnicotinic acid

2-Chloro-5,6-dimethylnicotinic acid

CAS No.:
120003-75-0
Catalog Number:
AG000Q1X
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG000Q1X
Chemical Name:
2-Chloro-5,6-dimethylnicotinic acid
CAS Number:
120003-75-0
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD07801116
IUPAC Name:
2-chloro-5,6-dimethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8ClNO2/c1-4-3-6(8(11)12)7(9)10-5(4)2/h3H,1-2H3,(H,11,12)
InChI Key:
JGTHNXDWSRAIAT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(nc1Cl)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties