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120003-75-0 | 3-Pyridinecarboxylic acid, 2-chloro-5,6-dimethyl-
CAS No: 120003-75-0 Catalog No: AG000Q1X MDL No:MFCD07801116
Product Description
Catalog Number:
AG000Q1X
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-5,6-dimethyl-
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 |
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