6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol

C17H18N2O2 — CID 155568286

IUPAC6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1ccccc1CCn1cc2ncccc2c1O
InChIInChI=1S/C17H18N2O2/c1-2-21-16-8-4-3-6-13(16)9-11-19-12-15-14(17(19)20)7-5-10-18-15/h3-8,10,12,20H,2,9,11H2,1H3
InChIKeyMNHRSUZJIKVBCA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.38
Rot. Bonds5

About 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol

6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 155568286) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID155568286
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1ccccc1CCn1cc2ncccc2c1O
InChIInChI=1S/C17H18N2O2/c1-2-21-16-8-4-3-6-13(16)9-11-19-12-15-14(17(19)20)7-5-10-18-15/h3-8,10,12,20H,2,9,11H2,1H3
InChIKeyMNHRSUZJIKVBCA-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol (CID 155568286) is 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol is CCOc1ccccc1CCn1cc2ncccc2c1O.
What is the InChIKey of 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is MNHRSUZJIKVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-21-16-8-4-3-6-13(16)9-11-19-12-15-14(17(19)20)7-5-10-18-15/h3-8,10,12,20H,2,9,11H2,1H3.
What are the key properties of 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 282.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethoxyphenyl)ethyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 155568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).