3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine

C11H14N2 — CID 146414517

IUPAC3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine
SMILESCC(C)Cc1cnc2c[nH]cc2c1
InChIInChI=1S/C11H14N2/c1-8(2)3-9-4-10-6-12-7-11(10)13-5-9/h4-8,12H,3H2,1-2H3
InChIKeySPQVFUWPZOHUAQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.76
Rot. Bonds2

About 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine

3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine (PubChem CID 146414517) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine
PubChem CID146414517
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine
SMILESCC(C)Cc1cnc2c[nH]cc2c1
InChIInChI=1S/C11H14N2/c1-8(2)3-9-4-10-6-12-7-11(10)13-5-9/h4-8,12H,3H2,1-2H3
InChIKeySPQVFUWPZOHUAQ-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine (CID 146414517) is 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine is CC(C)Cc1cnc2c[nH]cc2c1.
What is the InChIKey of 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine?
The InChIKey is SPQVFUWPZOHUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)3-9-4-10-6-12-7-11(10)13-5-9/h4-8,12H,3H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine?
3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 146414517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).