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

C14H15BrN2 — CID 73354882

IUPAC5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2ccc(Br)cc2c1C1=CCNCC1
InChIInChI=1S/C14H15BrN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
InChIKeyCYOVOZKUTSWUJD-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.62
Rot. Bonds1

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

5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 73354882) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID73354882
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2ccc(Br)cc2c1C1=CCNCC1
InChIInChI=1S/C14H15BrN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
InChIKeyCYOVOZKUTSWUJD-UHFFFAOYSA-N
XLogP3.62
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 73354882) is 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Cc1[nH]c2ccc(Br)cc2c1C1=CCNCC1.
What is the InChIKey of 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is CYOVOZKUTSWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 291.19 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 73354882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).