Encyclopedia   /  Pharmaceutical Intermediates
6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE structure

6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE

 
1. Names and Identifiers
1.1 Name
6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE
1.2 Synonyms
2-Chloro-6-pyridinecarbonyl chloride; 2-Pyridinecarbonyl chloride, 6-chloro-; 2-Pyridinecarbonyl chloride, 6-chloro- (9CI); 6-Chloro-2-pyridinecarbonyl chloride; 6-Chloropicolinic acid chloride; 6-chloropicolinoyl chloride; 6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE;
1.3 CAS No.
80099-98-5
1.4 CID
10942976
1.5 Molecular Formula
C6H3Cl2NO
1.6 Inchi
InChI=1S/C6H3Cl2NO/c7-5-3-1-2-4(9-5)6(8)10/h1-3H
1.7 InChkey
INDXGKMKACLIJS-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=NC(=C1)Cl)C(=O)Cl
1.9 Isomers Smiles
C1=CC(=NC(=C1)Cl)C(=O)Cl
2. Properties
2.1 Solubility
微溶 (1.9 g/L) (25 oC),
2.2 pKa
-2.22±0.10(Predicted)
3. Synthesis Route
80099-98-5Total: 3 Synthesis Route
 
4684-94-0
4684-94-0 216 Suppliers
 
80099-98-5
80099-98-5 9 Suppliers
 
5140-72-7
5140-72-7 94 Suppliers
 
80099-98-5
80099-98-5 9 Suppliers
4. Precursor and Product
5. Computed Properties
  • Molecular Weight:176.00012g/mol
  • Molecular Formula:C6H3Cl2NO
  • Compound Is Canonicalized:True
  • Exact Mass:2.7
  • XLogP3-AA:174.9591691
  • Monoisotopic Mass:174.9591691
  • Complexity:140
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30
  • Heavy Atom Count::10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcQBiIAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgIAAAAACAqBliAwgJIIEACoAWR6RACCgCAnByAImCGwZtgIIPLBl7HEIQhggADIyYcYCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 8 Suppliers View more
Tel: Update Time:2024/03/04
Tel: Update Time:2019/02/23
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
7. Realated Product Infomation
 
 
 
Cancel
 
Popular Searches