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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14ClN3.2ClH
Molecular Weight 308.635
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Chloromethyl)-2-(1-isopropyl-1H-pyrazol-5-yl)pyridine dihydrochloride

SMILES

Cl.Cl.CC(C)N1N=CC=C1C2=C(CCl)C=CC=N2

InChI

InChIKey=CZNAXKQIUMAWPD-UHFFFAOYSA-N
InChI=1S/C12H14ClN3.2ClH/c1-9(2)16-11(5-7-15-16)12-10(8-13)4-3-6-14-12;;/h3-7,9H,8H2,1-2H3;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H14ClN3
Molecular Weight 235.713
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:24:06 GMT 2025
Edited
by admin
on Wed Apr 02 20:24:06 GMT 2025
Record UNII
HMF3QNX2NK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Chloromethyl)-2-(1-isopropyl-1H-pyrazol-5-yl)pyridine dihydrochloride
Systematic Name English
Pyridine, 3-(chloromethyl)-2-[1-(1-methylethyl)-1H-pyrazol-5-yl]-, hydrochloride (1:2)
Preferred Name English
Code System Code Type Description
PUBCHEM
132115287
Created by admin on Wed Apr 02 20:24:06 GMT 2025 , Edited by admin on Wed Apr 02 20:24:06 GMT 2025
PRIMARY
CAS
2152677-40-0
Created by admin on Wed Apr 02 20:24:06 GMT 2025 , Edited by admin on Wed Apr 02 20:24:06 GMT 2025
PRIMARY
FDA UNII
HMF3QNX2NK
Created by admin on Wed Apr 02 20:24:06 GMT 2025 , Edited by admin on Wed Apr 02 20:24:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE