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

C13H13BrN2 — CID 2763724

IUPAC5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H13BrN2/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
InChIKeyFCKKUEPMSPRIAO-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.31
Rot. Bonds1

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

5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 2763724) has the molecular formula C13H13BrN2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID2763724
Molecular FormulaC13H13BrN2
Molecular Weight277.16 g/mol
Exact Mass276.03
IUPAC Name5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H13BrN2/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
InChIKeyFCKKUEPMSPRIAO-UHFFFAOYSA-N
XLogP3.31
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 2763724) is 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Brc1ccc2[nH]cc(C3=CCNCC3)c2c1.
What is the InChIKey of 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is FCKKUEPMSPRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/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-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 277.16 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 2763724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).