5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C13H13ClN2 — CID 3050532

IUPAC5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESClc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
InChIKeyRANMHKQOJANPJJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.20
Rot. Bonds1

About 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 3050532) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID3050532
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESClc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
InChIKeyRANMHKQOJANPJJ-UHFFFAOYSA-N
XLogP3.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 3050532) is 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Clc1ccc2[nH]cc(C3=CCNCC3)c2c1.
What is the InChIKey of 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is RANMHKQOJANPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2.
What are the key properties of 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 232.71 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 3050532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).