5-tert-butyl-2H-pyrrolo[3,2-b]pyridine

C11H14N2 — CID 161132818

IUPAC5-tert-butyl-2H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc2c(n1)=CCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)10-5-4-8-9(13-10)6-7-12-8/h4-6H,7H2,1-3H3
InChIKeyQKGPHPZBKFEOHF-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.79
Rot. Bonds

About 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine

5-tert-butyl-2H-pyrrolo[3,2-b]pyridine (PubChem CID 161132818) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2H-pyrrolo[3,2-b]pyridine
PubChem CID161132818
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-tert-butyl-2H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1ccc2c(n1)=CCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)10-5-4-8-9(13-10)6-7-12-8/h4-6H,7H2,1-3H3
InChIKeyQKGPHPZBKFEOHF-UHFFFAOYSA-N
XLogP0.79
TPSA25.25 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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine (CID 161132818) is 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine is CC(C)(C)c1ccc2c(n1)=CCN=2.
What is the InChIKey of 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is QKGPHPZBKFEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)10-5-4-8-9(13-10)6-7-12-8/h4-6H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
5-tert-butyl-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 161132818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).