Home Halogens 5-chloro-6-cyanopyridine-2-carboxylic acid

5-chloro-6-cyanopyridine-2-carboxylic acid

CAS No.:
1256791-34-0
Catalog Number:
AG01A35U
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
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Product Description
Catalog Number:
AG01A35U
Chemical Name:
5-chloro-6-cyanopyridine-2-carboxylic acid
CAS Number:
1256791-34-0
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD18259823
IUPAC Name:
5-chloro-6-cyanopyridine-2-carboxylic acid
InChI:
InChI=1S/C7H3ClN2O2/c8-4-1-2-5(7(11)12)10-6(4)3-9/h1-2H,(H,11,12)
InChI Key:
YXBWUTRMJBLCBC-UHFFFAOYSA-N
SMILES:
N#Cc1nc(ccc1Cl)C(=O)O
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.988g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.563g/mol
Monoisotopic Mass:
181.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties