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Also known as: 107512-34-5, Pyridine, 4-chloro-3-methoxy-2-methyl-, 4-chloro-3-methoxy-2-methyl-pyridine, Schembl900450, Dtxsid50441989, Albb-027299
Molecular Formula
C7H8ClNO
Molecular Weight
157.60  g/mol
InChI Key
RYGXNMUVOHCPBF-UHFFFAOYSA-N

CAS 107512-34-5
1 2D Structure

CAS 107512-34-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-3-methoxy-2-methylpyridine
2.1.2 InChI
InChI=1S/C7H8ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-4H,1-2H3
2.1.3 InChI Key
RYGXNMUVOHCPBF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC=CC(=C1OC)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 107512-34-5

2. Pyridine, 4-chloro-3-methoxy-2-methyl-

3. 4-chloro-3-methoxy-2-methyl-pyridine

4. Schembl900450

5. Dtxsid50441989

6. Albb-027299

7. 2-methyl-3-methoxy-4-chloropyridine

8. Mfcd16610605

9. Zinc39038289

10. Akos016845851

11. Pb19448

12. As-34796

13. Cs-0050928

14. En300-101405

15. A895430

16. 2,2-bi-9h-fluorene,7-bromo-9,9,9,9-tetraethyl-

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 157.60 g/mol
Molecular Formula C7H8ClNO
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area22.1
Heavy Atom Count10
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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