6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

Name: 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₀N₂O₂ — CID 155539032

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

SMILESCCC(C)Oc1ccccc1Cn1cc2ncccc2c1O

InChIInChI=1S/C18H20N2O2/c1-3-13(2)22-17-9-5-4-7-14(17)11-20-12-16-15(18(20)21)8-6-10-19-16/h4-10,12-13,21H,3,11H2,1-2H3

InChIKeyZEFLJYXHGRFBNP-UHFFFAOYSA-N

MW296.37 g/mol

LogP3.97

Rot. Bonds5

About 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 155539032) has the molecular formula C₁₈H₂₀N₂O₂ and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name	6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID	155539032
Molecular Formula	C₁₈H₂₀N₂O₂
Molecular Weight	296.37 g/mol
Exact Mass	296.15
IUPAC Name	6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILES	CCC(C)Oc1ccccc1Cn1cc2ncccc2c1O
InChI	InChI=1S/C18H20N2O2/c1-3-13(2)22-17-9-5-4-7-14(17)11-20-12-16-15(18(20)21)8-6-10-19-16/h4-10,12-13,21H,3,11H2,1-2H3
InChIKey	ZEFLJYXHGRFBNP-UHFFFAOYSA-N
XLogP	3.97
TPSA	47.28 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.37
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?

The IUPAC name of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 155539032) is 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

What is the SMILES notation for 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?

The canonical SMILES for 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is CCC(C)Oc1ccccc1Cn1cc2ncccc2c1O.

What is the InChIKey of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?

The InChIKey is ZEFLJYXHGRFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-13(2)22-17-9-5-4-7-14(17)11-20-12-16-15(18(20)21)8-6-10-19-16/h4-10,12-13,21H,3,11H2,1-2H3.

What are the key properties of 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?

6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 296.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-butan-2-yloxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 155539032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155539032 — identifiers, structure, computed properties (public domain)

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