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

C14H15BrN2 — CID 14973208

IUPAC5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyIRJNNZSKGXPISD-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.65
Rot. Bonds1

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

5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 14973208) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID14973208
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyIRJNNZSKGXPISD-UHFFFAOYSA-N
XLogP3.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 14973208) is 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is IRJNNZSKGXPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3.
What are the key properties of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 291.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 14973208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).