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Also known as: 1446321-95-4, 3-(chloromethyl)-2-(2-isopropylpyrazol-3-yl)pyridine hcl, 2152677-40-0, Schembl15068393, Ukthrmmetxcgbz-uhfffaoysa-n, Bs-34652
Molecular Formula
C12H15Cl2N3
Molecular Weight
272.17  g/mol
InChI Key
UKTHRMMETXCGBZ-UHFFFAOYSA-N

CAS 2152677-40-0
1 2D Structure

CAS 2152677-40-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;hydrochloride
2.1.2 InChI
InChI=1S/C12H14ClN3.ClH/c1-9(2)16-11(5-7-15-16)12-10(8-13)4-3-6-14-12;/h3-7,9H,8H2,1-2H3;1H
2.1.3 InChI Key
UKTHRMMETXCGBZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)N1C(=CC=N1)C2=C(C=CC=N2)CCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1446321-95-4

2. 3-(chloromethyl)-2-(2-isopropylpyrazol-3-yl)pyridine Hcl

3. 2152677-40-0

4. Schembl15068393

5. Ukthrmmetxcgbz-uhfffaoysa-n

6. Bs-34652

7. Ft-0754814

8. F90131

9. A936846

10. 3-(chloromethyl)-2-(2-isopropylpyrazol-3-yl)pyridinehcl

11. 3-(chloromethyl)-2-(1-isopropyl-1h-pyrazol-5-yl)pyridine Hcl

12. 3-(chloromethyl)-2-(2-isopropylpyrazol-3-yl)pyridine Hydrochloride

13. 3-(chloromethyl)-2-(1-isopropyl-1h-pyrazol-5-yl)pyridin-1-ium Chloride

14. 3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;hydrochloride

15. 3-(chloromethyl)-2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridine Hydrochloride

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 272.17 g/mol
Molecular Formula C12H15Cl2N3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area30.7
Heavy Atom Count17
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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