5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole

C12H12ClN3 — CID 168941548

IUPAC5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
SMILESClc1ccc2[nH]nc(C3=CCCNC3)c2c1
InChIInChI=1S/C12H12ClN3/c13-9-3-4-11-10(6-9)12(16-15-11)8-2-1-5-14-7-8/h2-4,6,14H,1,5,7H2,(H,15,16)
InChIKeyQABLUDYTCCKNRQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.59
Rot. Bonds1

About 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole

5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole (PubChem CID 168941548) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
PubChem CID168941548
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
SMILESClc1ccc2[nH]nc(C3=CCCNC3)c2c1
InChIInChI=1S/C12H12ClN3/c13-9-3-4-11-10(6-9)12(16-15-11)8-2-1-5-14-7-8/h2-4,6,14H,1,5,7H2,(H,15,16)
InChIKeyQABLUDYTCCKNRQ-UHFFFAOYSA-N
XLogP2.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The IUPAC name of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole (CID 168941548) is 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole.
What is the SMILES notation for 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The canonical SMILES for 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole is Clc1ccc2[nH]nc(C3=CCCNC3)c2c1.
What is the InChIKey of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The InChIKey is QABLUDYTCCKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-9-3-4-11-10(6-9)12(16-15-11)8-2-1-5-14-7-8/h2-4,6,14H,1,5,7H2,(H,15,16).
What are the key properties of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole has a molecular weight of 233.70 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole is sourced from PubChem (CID 168941548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).