CAS 253345-80-1

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Also known as: 253345-80-1, (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol hydrochloride, [3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-yl]-methanol hydrochloride, [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride, [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol hydrochloride, 2-hydromethyl-3-methyl-4-(2,2,2-thifluoroethoxy) pyridine hydrochloride

Molecular Formula

C₉H₁₁ClF₃NO₂

Molecular Weight

257.64 g/mol

InChI Key

DXKSKMLOGCCLGP-UHFFFAOYSA-N

1 2D Structure

CAS 253345-80-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride

2.1.2 InChI

InChI=1S/C9H10F3NO2.ClH/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12;/h2-3,14H,4-5H2,1H3;1H

2.1.3 InChI Key

DXKSKMLOGCCLGP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CN=C1CO)OCC(F)(F)F.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 253345-80-1

2. (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol Hydrochloride

3. [3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-yl]-methanol Hydrochloride

4. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride

5. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol Hydrochloride

6. 2-hydromethyl-3-methyl-4-(2,2,2-thifluoroethoxy) Pyridine Hydrochloride

7. 2-hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hcl

8. Schembl6591278

9. Dtxsid50657725

10. Dxkskmlogcclgp-uhfffaoysa-n

11. Akos005063557

12. Sb36199

13. Cs-0133813

14. Ft-0644130

15. J-509679

16. (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol Hcl

17. 2-hydroxy Methyl 3 Methyl 4(2,2,2 Trifluoro-ethoxy) Pyridine

18. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol--hydrogen Chloride (1/1)

2.2.2 Other Synonyms

1. 253345-80-1

2. (3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol Hydrochloride

3. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol;hydrochloride

4. [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol Hydrochloride

2.3 Create Date

2009-09-01

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁ClF₃NO₂
Molecular Weight	257.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42.4
Heavy Atom Count	16
Formal Charge	0
Complexity	198
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	2