2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde

C11H9ClF2N2O — CID 156825851

IUPAC2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3C(C2)C3(F)F)nc1Cl
InChIInChI=1S/C11H9ClF2N2O/c12-10-6(5-17)1-2-9(15-10)16-3-7-8(4-16)11(7,13)14/h1-2,5,7-8H,3-4H2
InChIKeyLTHAPVMVCGRLHN-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.25
Rot. Bonds2

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

2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde (PubChem CID 156825851) has the molecular formula C11H9ClF2N2O and a molecular weight of 258.65 g/mol. Its IUPAC name is 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde
PubChem CID156825851
Molecular FormulaC11H9ClF2N2O
Molecular Weight258.65 g/mol
Exact Mass258.04
IUPAC Name2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3C(C2)C3(F)F)nc1Cl
InChIInChI=1S/C11H9ClF2N2O/c12-10-6(5-17)1-2-9(15-10)16-3-7-8(4-16)11(7,13)14/h1-2,5,7-8H,3-4H2
InChIKeyLTHAPVMVCGRLHN-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde (CID 156825851) is 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde is O=Cc1ccc(N2CC3C(C2)C3(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde?
The InChIKey is LTHAPVMVCGRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O/c12-10-6(5-17)1-2-9(15-10)16-3-7-8(4-16)11(7,13)14/h1-2,5,7-8H,3-4H2.
What are the key properties of 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde?
2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde has a molecular weight of 258.65 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 156825851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).