2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine

C11H14N2 — CID 59457874

IUPAC2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)C1=NC2C=CC=NC2=C1
InChIInChI=1S/C11H14N2/c1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h4-8H,1-3H3
InChIKeyTVGSISBJDUPADJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.38
Rot. Bonds

About 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine

2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine (PubChem CID 59457874) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
PubChem CID59457874
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)C1=NC2C=CC=NC2=C1
InChIInChI=1S/C11H14N2/c1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h4-8H,1-3H3
InChIKeyTVGSISBJDUPADJ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine (CID 59457874) is 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine is CC(C)(C)C1=NC2C=CC=NC2=C1.
What is the InChIKey of 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine?
The InChIKey is TVGSISBJDUPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine?
2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59457874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).