2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine

C11H14N2 — CID 89014932

IUPAC2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=C(CC)C=CC2=N1
InChIInChI=1S/C11H14N2/c1-3-8-5-6-10-11(12-8)7-9(4-2)13-10/h5-7,11H,3-4H2,1-2H3
InChIKeyIVCDIWPSUPRVGH-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.52
Rot. Bonds2

About 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine

2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine (PubChem CID 89014932) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
PubChem CID89014932
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=C(CC)C=CC2=N1
InChIInChI=1S/C11H14N2/c1-3-8-5-6-10-11(12-8)7-9(4-2)13-10/h5-7,11H,3-4H2,1-2H3
InChIKeyIVCDIWPSUPRVGH-UHFFFAOYSA-N
XLogP2.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine (CID 89014932) is 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine is CCC1=CC2N=C(CC)C=CC2=N1.
What is the InChIKey of 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine?
The InChIKey is IVCDIWPSUPRVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-8-5-6-10-11(12-8)7-9(4-2)13-10/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine?
2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 89014932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).