3-pyridin-4-yl-1H-indole

C13H10N2 — CID 644354

IUPAC3-pyridin-4-yl-1H-indole
SMILESc1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
InChIKeyLLJRXVHJOJRCSM-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.23
Rot. Bonds1

About 3-pyridin-4-yl-1H-indole

3-pyridin-4-yl-1H-indole (PubChem CID 644354) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-pyridin-4-yl-1H-indole.

Molecular Properties

Compound Name3-pyridin-4-yl-1H-indole
PubChem CID644354
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name3-pyridin-4-yl-1H-indole
SMILESc1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
InChIKeyLLJRXVHJOJRCSM-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1H-indole?
The IUPAC name of 3-pyridin-4-yl-1H-indole (CID 644354) is 3-pyridin-4-yl-1H-indole.
What is the SMILES notation for 3-pyridin-4-yl-1H-indole?
The canonical SMILES for 3-pyridin-4-yl-1H-indole is c1ccc2c(-c3ccncc3)c[nH]c2c1.
What is the InChIKey of 3-pyridin-4-yl-1H-indole?
The InChIKey is LLJRXVHJOJRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H.
What are the key properties of 3-pyridin-4-yl-1H-indole?
3-pyridin-4-yl-1H-indole has a molecular weight of 194.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1H-indole is sourced from PubChem (CID 644354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).