bis(1H-indol-2-yl)-pyridin-4-ylmethanol

C22H17N3O — CID 135257031

IUPACbis(1H-indol-2-yl)-pyridin-4-ylmethanol
SMILESOC(c1ccncc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H17N3O/c26-22(17-9-11-23-12-10-17,20-13-15-5-1-3-7-18(15)24-20)21-14-16-6-2-4-8-19(16)25-21/h1-14,24-26H
InChIKeyOQKLLSKMLNDJJN-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.33
Rot. Bonds3

About bis(1H-indol-2-yl)-pyridin-4-ylmethanol

bis(1H-indol-2-yl)-pyridin-4-ylmethanol (PubChem CID 135257031) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is bis(1H-indol-2-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Namebis(1H-indol-2-yl)-pyridin-4-ylmethanol
PubChem CID135257031
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Namebis(1H-indol-2-yl)-pyridin-4-ylmethanol
SMILESOC(c1ccncc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H17N3O/c26-22(17-9-11-23-12-10-17,20-13-15-5-1-3-7-18(15)24-20)21-14-16-6-2-4-8-19(16)25-21/h1-14,24-26H
InChIKeyOQKLLSKMLNDJJN-UHFFFAOYSA-N
XLogP4.33
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indol-2-yl)-pyridin-4-ylmethanol?
The IUPAC name of bis(1H-indol-2-yl)-pyridin-4-ylmethanol (CID 135257031) is bis(1H-indol-2-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for bis(1H-indol-2-yl)-pyridin-4-ylmethanol?
The canonical SMILES for bis(1H-indol-2-yl)-pyridin-4-ylmethanol is OC(c1ccncc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1.
What is the InChIKey of bis(1H-indol-2-yl)-pyridin-4-ylmethanol?
The InChIKey is OQKLLSKMLNDJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22(17-9-11-23-12-10-17,20-13-15-5-1-3-7-18(15)24-20)21-14-16-6-2-4-8-19(16)25-21/h1-14,24-26H.
What are the key properties of bis(1H-indol-2-yl)-pyridin-4-ylmethanol?
bis(1H-indol-2-yl)-pyridin-4-ylmethanol has a molecular weight of 339.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indol-2-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 135257031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).