CAS 959163-01-0

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-4-(ethylamino)pyridine-3-carbaldehyde

2.1.2 InChI

InChI=1S/C8H9ClN2O/c1-2-10-7-3-8(9)11-4-6(7)5-12/h3-5H,2H2,1H3,(H,10,11)

2.1.3 InChI Key

ANYFUZIGKSYQSU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCNC1=CC(=NC=C1C=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 959163-01-0

2. 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde

3. 6-chloro-4-(ethylamino)-3-pyridinecarboxaldehyde

4. Schembl4283556

5. Dtxsid801239397

6. Amy15523

7. Akos006371504

8. 6-chloro-4-(ethyl Amino) Nicotinaldehyde

9. Da-36295

10. Ws-00847

11. Cs-0097182

12. Ft-0742461

13. 6-chloro-4-ethylamino-pyridine-3-carbaldehyde

14. D75861

15. A929191

16. A1-17071

2.3 Create Date

2012-01-24

3 Chemical and Physical Properties

Molecular Formula	C₈H₉ClN₂O
Molecular Weight	184.62 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42
Heavy Atom Count	12
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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