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CAS 906657-86-1 manufacturers and suppliers on PharmaCompass

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Benzyloxybromomethylpyridinol
Also known as: 906657-86-1, 3-(benzyloxy)-5-bromo-2-methylpyridin-4-ol, 5-bromo-2-methyl-3-phenylmethoxy-1h-pyridin-4-one, Schembl82592, Schembl15324624, Mfcd16140264
Molecular Formula
C13H12BrNO2
Molecular Weight
294.14  g/mol
InChI Key
RTPDVDCGESIMNA-UHFFFAOYSA-N

1 2D Structure

Benzyloxybromomethylpyridinol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-2-methyl-3-phenylmethoxy-1H-pyridin-4-one
2.1.2 InChI
InChI=1S/C13H12BrNO2/c1-9-13(12(16)11(14)7-15-9)17-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
2.1.3 InChI Key
RTPDVDCGESIMNA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)C(=CN1)Br)OCC2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 906657-86-1

2. 3-(benzyloxy)-5-bromo-2-methylpyridin-4-ol

3. 5-bromo-2-methyl-3-phenylmethoxy-1h-pyridin-4-one

4. Schembl82592

5. Schembl15324624

6. Mfcd16140264

7. Zinc43827643

8. Akos005071903

9. Be-0031

10. 3-benzyloxy-5-bromo-2-methyl-pyridine-4-ol

11. 5-bromo-2-methyl-3-(phenylmethoxy)-4-pyridinol

12. A922427

2.3 Create Date
2011-02-22
3 Chemical and Physical Properties
Molecular Weight 294.14 g/mol
Molecular Formula C13H12BrNO2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass293.00514 g/mol
Monoisotopic Mass293.00514 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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