2-chloro-4-(3-fluorooxetan-3-yl)pyridine

C8H7ClFNO — CID 71743071

IUPAC2-chloro-4-(3-fluorooxetan-3-yl)pyridine
SMILESFC1(c2ccnc(Cl)c2)COC1
InChIInChI=1S/C8H7ClFNO/c9-7-3-6(1-2-11-7)8(10)4-12-5-8/h1-3H,4-5H2
InChIKeyYKBYOWDZFAUALL-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.93
Rot. Bonds1

About 2-chloro-4-(3-fluorooxetan-3-yl)pyridine

2-chloro-4-(3-fluorooxetan-3-yl)pyridine (PubChem CID 71743071) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorooxetan-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3-fluorooxetan-3-yl)pyridine
PubChem CID71743071
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-chloro-4-(3-fluorooxetan-3-yl)pyridine
SMILESFC1(c2ccnc(Cl)c2)COC1
InChIInChI=1S/C8H7ClFNO/c9-7-3-6(1-2-11-7)8(10)4-12-5-8/h1-3H,4-5H2
InChIKeyYKBYOWDZFAUALL-UHFFFAOYSA-N
XLogP1.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.93
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 2-chloro-4-(3-fluorooxetan-3-yl)pyridine?
The IUPAC name of 2-chloro-4-(3-fluorooxetan-3-yl)pyridine (CID 71743071) is 2-chloro-4-(3-fluorooxetan-3-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(3-fluorooxetan-3-yl)pyridine?
The canonical SMILES for 2-chloro-4-(3-fluorooxetan-3-yl)pyridine is FC1(c2ccnc(Cl)c2)COC1.
What is the InChIKey of 2-chloro-4-(3-fluorooxetan-3-yl)pyridine?
The InChIKey is YKBYOWDZFAUALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-7-3-6(1-2-11-7)8(10)4-12-5-8/h1-3H,4-5H2.
What are the key properties of 2-chloro-4-(3-fluorooxetan-3-yl)pyridine?
2-chloro-4-(3-fluorooxetan-3-yl)pyridine has a molecular weight of 187.60 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorooxetan-3-yl)pyridine is sourced from PubChem (CID 71743071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).