3-(3-chlorocyclobutyl)oxy-5-fluoropyridine

C9H9ClFNO — CID 130708673

IUPAC3-(3-chlorocyclobutyl)oxy-5-fluoropyridine
SMILESFc1cncc(OC2CC(Cl)C2)c1
InChIInChI=1S/C9H9ClFNO/c10-6-1-8(2-6)13-9-3-7(11)4-12-5-9/h3-6,8H,1-2H2
InChIKeyHBWABTWHCZJDEK-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.37
Rot. Bonds2

About 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine

3-(3-chlorocyclobutyl)oxy-5-fluoropyridine (PubChem CID 130708673) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine.

Molecular Properties

Compound Name3-(3-chlorocyclobutyl)oxy-5-fluoropyridine
PubChem CID130708673
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-(3-chlorocyclobutyl)oxy-5-fluoropyridine
SMILESFc1cncc(OC2CC(Cl)C2)c1
InChIInChI=1S/C9H9ClFNO/c10-6-1-8(2-6)13-9-3-7(11)4-12-5-9/h3-6,8H,1-2H2
InChIKeyHBWABTWHCZJDEK-UHFFFAOYSA-N
XLogP2.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine?
The IUPAC name of 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine (CID 130708673) is 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine.
What is the SMILES notation for 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine?
The canonical SMILES for 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine is Fc1cncc(OC2CC(Cl)C2)c1.
What is the InChIKey of 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine?
The InChIKey is HBWABTWHCZJDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-6-1-8(2-6)13-9-3-7(11)4-12-5-9/h3-6,8H,1-2H2.
What are the key properties of 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine?
3-(3-chlorocyclobutyl)oxy-5-fluoropyridine has a molecular weight of 201.63 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorocyclobutyl)oxy-5-fluoropyridine is sourced from PubChem (CID 130708673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).