4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine

C12H17FN2 — CID 130736594

IUPAC4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine
SMILESCCC1(CC)CN(c2ccnc(F)c2)C1
InChIInChI=1S/C12H17FN2/c1-3-12(4-2)8-15(9-12)10-5-6-14-11(13)7-10/h5-7H,3-4,8-9H2,1-2H3
InChIKeyFHEIJUWVYVSLMR-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.85
Rot. Bonds3

About 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine

4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine (PubChem CID 130736594) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine.

Molecular Properties

Compound Name4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine
PubChem CID130736594
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine
SMILESCCC1(CC)CN(c2ccnc(F)c2)C1
InChIInChI=1S/C12H17FN2/c1-3-12(4-2)8-15(9-12)10-5-6-14-11(13)7-10/h5-7H,3-4,8-9H2,1-2H3
InChIKeyFHEIJUWVYVSLMR-UHFFFAOYSA-N
XLogP2.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.85
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 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine?
The IUPAC name of 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine (CID 130736594) is 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine.
What is the SMILES notation for 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine?
The canonical SMILES for 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine is CCC1(CC)CN(c2ccnc(F)c2)C1.
What is the InChIKey of 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine?
The InChIKey is FHEIJUWVYVSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-3-12(4-2)8-15(9-12)10-5-6-14-11(13)7-10/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine?
4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine has a molecular weight of 208.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine is sourced from PubChem (CID 130736594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).