6-fluoro-4-(oxolan-2-yl)pyridin-3-amine

C9H11FN2O — CID 162687366

IUPAC6-fluoro-4-(oxolan-2-yl)pyridin-3-amine
SMILESNc1cnc(F)cc1C1CCCO1
InChIInChI=1S/C9H11FN2O/c10-9-4-6(7(11)5-12-9)8-2-1-3-13-8/h4-5,8H,1-3,11H2
InChIKeyXWTRTKBZLQWRBM-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.65
Rot. Bonds1

About 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine

6-fluoro-4-(oxolan-2-yl)pyridin-3-amine (PubChem CID 162687366) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-4-(oxolan-2-yl)pyridin-3-amine
PubChem CID162687366
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name6-fluoro-4-(oxolan-2-yl)pyridin-3-amine
SMILESNc1cnc(F)cc1C1CCCO1
InChIInChI=1S/C9H11FN2O/c10-9-4-6(7(11)5-12-9)8-2-1-3-13-8/h4-5,8H,1-3,11H2
InChIKeyXWTRTKBZLQWRBM-UHFFFAOYSA-N
XLogP1.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.65
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-4-(oxolan-2-yl)pyridin-3-amine?
The IUPAC name of 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine (CID 162687366) is 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine is Nc1cnc(F)cc1C1CCCO1.
What is the InChIKey of 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine?
The InChIKey is XWTRTKBZLQWRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-4-6(7(11)5-12-9)8-2-1-3-13-8/h4-5,8H,1-3,11H2.
What are the key properties of 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine?
6-fluoro-4-(oxolan-2-yl)pyridin-3-amine has a molecular weight of 182.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(oxolan-2-yl)pyridin-3-amine is sourced from PubChem (CID 162687366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).