2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol

C19H14N2O2 — CID 56839382

IUPAC2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol
SMILESOc1ccc(-c2cncc(-c3cc4ccc(O)cc4[nH]3)c2)cc1
InChIInChI=1S/C19H14N2O2/c22-16-4-1-12(2-5-16)14-7-15(11-20-10-14)18-8-13-3-6-17(23)9-19(13)21-18/h1-11,21-23H
InChIKeyBKQKPRMOYMYOAI-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.31
Rot. Bonds2

About 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol

2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol (PubChem CID 56839382) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol
PubChem CID56839382
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol
SMILESOc1ccc(-c2cncc(-c3cc4ccc(O)cc4[nH]3)c2)cc1
InChIInChI=1S/C19H14N2O2/c22-16-4-1-12(2-5-16)14-7-15(11-20-10-14)18-8-13-3-6-17(23)9-19(13)21-18/h1-11,21-23H
InChIKeyBKQKPRMOYMYOAI-UHFFFAOYSA-N
XLogP4.31
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol?
The IUPAC name of 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol (CID 56839382) is 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol is Oc1ccc(-c2cncc(-c3cc4ccc(O)cc4[nH]3)c2)cc1.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol?
The InChIKey is BKQKPRMOYMYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-16-4-1-12(2-5-16)14-7-15(11-20-10-14)18-8-13-3-6-17(23)9-19(13)21-18/h1-11,21-23H.
What are the key properties of 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol?
2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol has a molecular weight of 302.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol is sourced from PubChem (CID 56839382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).