6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde

C11H11FN2O — CID 156825917

IUPAC6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3(CC3)C2)nc1F
InChIInChI=1S/C11H11FN2O/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,5H,3-4,6-7H2
InChIKeyHBNTWVVNKZQKDT-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.63
Rot. Bonds2

About 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde

6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde (PubChem CID 156825917) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde
PubChem CID156825917
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3(CC3)C2)nc1F
InChIInChI=1S/C11H11FN2O/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,5H,3-4,6-7H2
InChIKeyHBNTWVVNKZQKDT-UHFFFAOYSA-N
XLogP1.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.63
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 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde (CID 156825917) is 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde is O=Cc1ccc(N2CC3(CC3)C2)nc1F.
What is the InChIKey of 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde?
The InChIKey is HBNTWVVNKZQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,5H,3-4,6-7H2.
What are the key properties of 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde?
6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde has a molecular weight of 206.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.3]hexan-5-yl)-2-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 156825917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).