6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde

C13H14F2N2O — CID 156826180

IUPAC6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde
SMILESCc1cc(N2CC3C(C2)C3(F)F)nc(C)c1C=O
InChIInChI=1S/C13H14F2N2O/c1-7-3-12(16-8(2)9(7)6-18)17-4-10-11(5-17)13(10,14)15/h3,6,10-11H,4-5H2,1-2H3
InChIKeyYNEQHXLVCPXICT-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.21
Rot. Bonds2

About 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde

6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde (PubChem CID 156826180) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde
PubChem CID156826180
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde
SMILESCc1cc(N2CC3C(C2)C3(F)F)nc(C)c1C=O
InChIInChI=1S/C13H14F2N2O/c1-7-3-12(16-8(2)9(7)6-18)17-4-10-11(5-17)13(10,14)15/h3,6,10-11H,4-5H2,1-2H3
InChIKeyYNEQHXLVCPXICT-UHFFFAOYSA-N
XLogP2.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde?
The IUPAC name of 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde (CID 156826180) is 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde is Cc1cc(N2CC3C(C2)C3(F)F)nc(C)c1C=O.
What is the InChIKey of 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde?
The InChIKey is YNEQHXLVCPXICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-7-3-12(16-8(2)9(7)6-18)17-4-10-11(5-17)13(10,14)15/h3,6,10-11H,4-5H2,1-2H3.
What are the key properties of 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde?
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde has a molecular weight of 252.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethylpyridine-3-carbaldehyde is sourced from PubChem (CID 156826180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).