6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde

Name: 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₆N₂O — CID 156826621

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde

SMILESCCc1nc(N2CC3CC3C2)ccc1C=O

InChIInChI=1S/C13H16N2O/c1-2-12-9(8-16)3-4-13(14-12)15-6-10-5-11(10)7-15/h3-4,8,10-11H,2,5-7H2,1H3

InChIKeyYEXILBCQNHBXSY-UHFFFAOYSA-N

MW216.28 g/mol

LogP1.91

Rot. Bonds3

About 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde

6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde (PubChem CID 156826621) has the molecular formula C₁₃H₁₆N₂O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name	6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
PubChem CID	156826621
Molecular Formula	C₁₃H₁₆N₂O
Molecular Weight	216.28 g/mol
Exact Mass	216.13
IUPAC Name	6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
SMILES	CCc1nc(N2CC3CC3C2)ccc1C=O
InChI	InChI=1S/C13H16N2O/c1-2-12-9(8-16)3-4-13(14-12)15-6-10-5-11(10)7-15/h3-4,8,10-11H,2,5-7H2,1H3
InChIKey	YEXILBCQNHBXSY-UHFFFAOYSA-N
XLogP	1.91
TPSA	33.20 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.28
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde?

The IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde (CID 156826621) is 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde.

What is the SMILES notation for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde?

The canonical SMILES for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde is CCc1nc(N2CC3CC3C2)ccc1C=O.

What is the InChIKey of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde?

The InChIKey is YEXILBCQNHBXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12-9(8-16)3-4-13(14-12)15-6-10-5-11(10)7-15/h3-4,8,10-11H,2,5-7H2,1H3.

What are the key properties of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde?

6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde is sourced from PubChem (CID 156826621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156826621 — identifiers, structure, computed properties (public domain)

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