1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol

C16H16N2O2 — CID 117179045

IUPAC1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
SMILESCCn1cc(COc2cccnc2)c2ccc(O)cc21
InChIInChI=1S/C16H16N2O2/c1-2-18-10-12(11-20-14-4-3-7-17-9-14)15-6-5-13(19)8-16(15)18/h3-10,19H,2,11H2,1H3
InChIKeyKSEKRTHHIZJELE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.34
Rot. Bonds4

About 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol

1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol (PubChem CID 117179045) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol.

Molecular Properties

Compound Name1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
PubChem CID117179045
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
SMILESCCn1cc(COc2cccnc2)c2ccc(O)cc21
InChIInChI=1S/C16H16N2O2/c1-2-18-10-12(11-20-14-4-3-7-17-9-14)15-6-5-13(19)8-16(15)18/h3-10,19H,2,11H2,1H3
InChIKeyKSEKRTHHIZJELE-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol?
The IUPAC name of 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol (CID 117179045) is 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol.
What is the SMILES notation for 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol?
The canonical SMILES for 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol is CCn1cc(COc2cccnc2)c2ccc(O)cc21.
What is the InChIKey of 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol?
The InChIKey is KSEKRTHHIZJELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-18-10-12(11-20-14-4-3-7-17-9-14)15-6-5-13(19)8-16(15)18/h3-10,19H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol?
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol has a molecular weight of 268.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol is sourced from PubChem (CID 117179045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).