3-(2-pyridin-4-ylethyl)-1H-indole

C15H14N2 — CID 27934

IUPAC3-(2-pyridin-4-ylethyl)-1H-indole
SMILESc1ccc2c(CCc3ccncc3)c[nH]c2c1
InChIInChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
InChIKeyUUEYCHLWAOBOHG-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.35
Rot. Bonds3

About 3-(2-pyridin-4-ylethyl)-1H-indole

3-(2-pyridin-4-ylethyl)-1H-indole (PubChem CID 27934) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethyl)-1H-indole.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethyl)-1H-indole
PubChem CID27934
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-(2-pyridin-4-ylethyl)-1H-indole
SMILESc1ccc2c(CCc3ccncc3)c[nH]c2c1
InChIInChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
InChIKeyUUEYCHLWAOBOHG-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethyl)-1H-indole?
The IUPAC name of 3-(2-pyridin-4-ylethyl)-1H-indole (CID 27934) is 3-(2-pyridin-4-ylethyl)-1H-indole.
What is the SMILES notation for 3-(2-pyridin-4-ylethyl)-1H-indole?
The canonical SMILES for 3-(2-pyridin-4-ylethyl)-1H-indole is c1ccc2c(CCc3ccncc3)c[nH]c2c1.
What is the InChIKey of 3-(2-pyridin-4-ylethyl)-1H-indole?
The InChIKey is UUEYCHLWAOBOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2.
What are the key properties of 3-(2-pyridin-4-ylethyl)-1H-indole?
3-(2-pyridin-4-ylethyl)-1H-indole has a molecular weight of 222.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethyl)-1H-indole is sourced from PubChem (CID 27934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).