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CAS 1227583-91-6
PharmaCompass
  • Chemistry
CAS 1227583-91-6
Also known as: 5-bromo-6-chloropicolinaldehyde, 1227583-91-6, Schembl18188493, Ampd00028, Dtxsid60856863, Mfcd16606501
Molecular Formula
C6H3BrClNO
Molecular Weight
220.45  g/mol
InChI Key
MUQCOACMBKSMMR-UHFFFAOYSA-N

1 2D Structure

CAS 1227583-91-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-6-chloropyridine-2-carbaldehyde
2.1.2 InChI
InChI=1S/C6H3BrClNO/c7-5-2-1-4(3-10)9-6(5)8/h1-3H
2.1.3 InChI Key
MUQCOACMBKSMMR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(N=C1C=O)Cl)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5-bromo-6-chloropicolinaldehyde

2. 1227583-91-6

3. Schembl18188493

4. Ampd00028

5. Dtxsid60856863

6. Mfcd16606501

7. Zinc79048175

8. Akos022174022

9. Fch1343626

10. Ak138268

11. Am807519

12. Aj-122975

13. Ax8259871

14. 2-pyridinecarboxaldehyde, 5-bromo-6-chloro-

15. Bg00310082

16. Bg01524317

2.3 Create Date
2013-09-27
3 Chemical and Physical Properties
Molecular Weight 220.45 g/mol
Molecular Formula C6H3BrClNO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass218.909 g/mol
Monoisotopic Mass218.909 g/mol
Topological Polar Surface Area30 A^2
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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