3-(1H-indol-4-yl)-5-pyridin-3-ylphenol

C19H14N2O — CID 15603499

IUPAC3-(1H-indol-4-yl)-5-pyridin-3-ylphenol
SMILESOc1cc(-c2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H14N2O/c22-16-10-14(13-3-2-7-20-12-13)9-15(11-16)17-4-1-5-19-18(17)6-8-21-19/h1-12,21-22H
InChIKeyRAFBOLQOWWQHSG-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.60
Rot. Bonds2

About 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol

3-(1H-indol-4-yl)-5-pyridin-3-ylphenol (PubChem CID 15603499) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-pyridin-3-ylphenol
PubChem CID15603499
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name3-(1H-indol-4-yl)-5-pyridin-3-ylphenol
SMILESOc1cc(-c2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H14N2O/c22-16-10-14(13-3-2-7-20-12-13)9-15(11-16)17-4-1-5-19-18(17)6-8-21-19/h1-12,21-22H
InChIKeyRAFBOLQOWWQHSG-UHFFFAOYSA-N
XLogP4.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol?
The IUPAC name of 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol (CID 15603499) is 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol?
The canonical SMILES for 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol is Oc1cc(-c2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol?
The InChIKey is RAFBOLQOWWQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-16-10-14(13-3-2-7-20-12-13)9-15(11-16)17-4-1-5-19-18(17)6-8-21-19/h1-12,21-22H.
What are the key properties of 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol?
3-(1H-indol-4-yl)-5-pyridin-3-ylphenol has a molecular weight of 286.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-pyridin-3-ylphenol is sourced from PubChem (CID 15603499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).