Home Halogens 2-chloro-5-cyanopyridine-4-carboxylic acid

2-chloro-5-cyanopyridine-4-carboxylic acid

CAS No.:
1638361-41-7
Catalog Number:
AG01ELG7
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
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Product Description
Catalog Number:
AG01ELG7
Chemical Name:
2-chloro-5-cyanopyridine-4-carboxylic acid
CAS Number:
1638361-41-7
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD28749705
IUPAC Name:
2-chloro-5-cyanopyridine-4-carboxylic acid
InChI:
InChI=1S/C7H3ClN2O2/c8-6-1-5(7(11)12)4(2-9)3-10-6/h1,3H,(H,11,12)
InChI Key:
ALFPZPBZMPOWIA-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cc1C(=O)O)Cl
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:
1.1  
Properties