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

C13H16N2O — CID 156826621

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 Name6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
PubChem CID156826621
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-(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
XLogP1.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
CID 156826505
N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]ethylidene]hydroxylamine
CID 158318415
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde
CID 166747122
5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]thiophene-2-carboxylic acid
CID 156826658
3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166721960
ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-1-ethylpyrazole-5-carboxylate
CID 156826222
potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide
CID 156826352
3-[6-bromo-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166747106
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
CID 156825866
ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 129078747

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).