4-tert-butyl-4H-pyrrolo[3,4-b]pyridine

C11H14N2 — CID 130318482

IUPAC4-tert-butyl-4H-pyrrolo[3,4-b]pyridine
SMILESCC(C)(C)C1C=CN=C2C=NC=C21
InChIInChI=1S/C11H14N2/c1-11(2,3)9-4-5-13-10-7-12-6-8(9)10/h4-7,9H,1-3H3
InChIKeyYEGDDPSKSHIBHS-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.59
Rot. Bonds

About 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine

4-tert-butyl-4H-pyrrolo[3,4-b]pyridine (PubChem CID 130318482) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-4H-pyrrolo[3,4-b]pyridine
PubChem CID130318482
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-tert-butyl-4H-pyrrolo[3,4-b]pyridine
SMILESCC(C)(C)C1C=CN=C2C=NC=C21
InChIInChI=1S/C11H14N2/c1-11(2,3)9-4-5-13-10-7-12-6-8(9)10/h4-7,9H,1-3H3
InChIKeyYEGDDPSKSHIBHS-UHFFFAOYSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine (CID 130318482) is 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine is CC(C)(C)C1C=CN=C2C=NC=C21.
What is the InChIKey of 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine?
The InChIKey is YEGDDPSKSHIBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)9-4-5-13-10-7-12-6-8(9)10/h4-7,9H,1-3H3.
What are the key properties of 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine?
4-tert-butyl-4H-pyrrolo[3,4-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 130318482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).