6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane

C12H14ClFN2 — CID 118008367

IUPAC6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane
SMILESFc1cnc(Cl)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C12H14ClFN2/c13-11-7-10(9(14)8-15-11)16-5-3-12(1-2-12)4-6-16/h7-8H,1-6H2
InChIKeyBNEDESIOUSLINZ-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.25
Rot. Bonds1

About 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane

6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane (PubChem CID 118008367) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane
PubChem CID118008367
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane
SMILESFc1cnc(Cl)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C12H14ClFN2/c13-11-7-10(9(14)8-15-11)16-5-3-12(1-2-12)4-6-16/h7-8H,1-6H2
InChIKeyBNEDESIOUSLINZ-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane?
The IUPAC name of 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane (CID 118008367) is 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane is Fc1cnc(Cl)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane?
The InChIKey is BNEDESIOUSLINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c13-11-7-10(9(14)8-15-11)16-5-3-12(1-2-12)4-6-16/h7-8H,1-6H2.
What are the key properties of 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane?
6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane has a molecular weight of 240.71 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoro-4-pyridinyl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 118008367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).