4-bromo-1-(2-pyridin-4-ylethyl)indole

C15H13BrN2 — CID 116625918

IUPAC4-bromo-1-(2-pyridin-4-ylethyl)indole
SMILESBrc1cccc2c1ccn2CCc1ccncc1
InChIInChI=1S/C15H13BrN2/c16-14-2-1-3-15-13(14)7-11-18(15)10-6-12-4-8-17-9-5-12/h1-5,7-9,11H,6,10H2
InChIKeyUUHWQPFXAWCOAC-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.04
Rot. Bonds3

About 4-bromo-1-(2-pyridin-4-ylethyl)indole

4-bromo-1-(2-pyridin-4-ylethyl)indole (PubChem CID 116625918) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-1-(2-pyridin-4-ylethyl)indole.

Molecular Properties

Compound Name4-bromo-1-(2-pyridin-4-ylethyl)indole
PubChem CID116625918
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name4-bromo-1-(2-pyridin-4-ylethyl)indole
SMILESBrc1cccc2c1ccn2CCc1ccncc1
InChIInChI=1S/C15H13BrN2/c16-14-2-1-3-15-13(14)7-11-18(15)10-6-12-4-8-17-9-5-12/h1-5,7-9,11H,6,10H2
InChIKeyUUHWQPFXAWCOAC-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-pyridin-4-ylethyl)indole?
The IUPAC name of 4-bromo-1-(2-pyridin-4-ylethyl)indole (CID 116625918) is 4-bromo-1-(2-pyridin-4-ylethyl)indole.
What is the SMILES notation for 4-bromo-1-(2-pyridin-4-ylethyl)indole?
The canonical SMILES for 4-bromo-1-(2-pyridin-4-ylethyl)indole is Brc1cccc2c1ccn2CCc1ccncc1.
What is the InChIKey of 4-bromo-1-(2-pyridin-4-ylethyl)indole?
The InChIKey is UUHWQPFXAWCOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-14-2-1-3-15-13(14)7-11-18(15)10-6-12-4-8-17-9-5-12/h1-5,7-9,11H,6,10H2.
What are the key properties of 4-bromo-1-(2-pyridin-4-ylethyl)indole?
4-bromo-1-(2-pyridin-4-ylethyl)indole has a molecular weight of 301.19 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-pyridin-4-ylethyl)indole is sourced from PubChem (CID 116625918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).