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

C19H14N2O2 — CID 15604421

IUPAC3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol
SMILESOc1cc(Oc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H14N2O2/c22-14-9-13(17-4-1-5-19-18(17)6-8-21-19)10-16(11-14)23-15-3-2-7-20-12-15/h1-12,21-22H
InChIKeyDOAMRVHFRLILID-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.73
Rot. Bonds3

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

3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol (PubChem CID 15604421) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol
PubChem CID15604421
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol
SMILESOc1cc(Oc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H14N2O2/c22-14-9-13(17-4-1-5-19-18(17)6-8-21-19)10-16(11-14)23-15-3-2-7-20-12-15/h1-12,21-22H
InChIKeyDOAMRVHFRLILID-UHFFFAOYSA-N
XLogP4.73
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol?
The IUPAC name of 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol (CID 15604421) is 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol?
The canonical SMILES for 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol is Oc1cc(Oc2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol?
The InChIKey is DOAMRVHFRLILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-14-9-13(17-4-1-5-19-18(17)6-8-21-19)10-16(11-14)23-15-3-2-7-20-12-15/h1-12,21-22H.
What are the key properties of 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol?
3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol has a molecular weight of 302.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-pyridin-3-yloxyphenol is sourced from PubChem (CID 15604421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).