6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine

C13H19FN2O — CID 104668781

IUPAC6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc(F)nc2)C(C)(C)O1
InChIInChI=1S/C13H19FN2O/c1-12(2)7-10(13(3,4)17-12)16-9-5-6-11(14)15-8-9/h5-6,8,10,16H,7H2,1-4H3
InChIKeyHIQDLBWGZVZOPL-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.98
Rot. Bonds2

About 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine

6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine (PubChem CID 104668781) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
PubChem CID104668781
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc(F)nc2)C(C)(C)O1
InChIInChI=1S/C13H19FN2O/c1-12(2)7-10(13(3,4)17-12)16-9-5-6-11(14)15-8-9/h5-6,8,10,16H,7H2,1-4H3
InChIKeyHIQDLBWGZVZOPL-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine (CID 104668781) is 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine is CC1(C)CC(Nc2ccc(F)nc2)C(C)(C)O1.
What is the InChIKey of 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
The InChIKey is HIQDLBWGZVZOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-12(2)7-10(13(3,4)17-12)16-9-5-6-11(14)15-8-9/h5-6,8,10,16H,7H2,1-4H3.
What are the key properties of 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 104668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).