5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine

C12H14FNO — CID 130494822

IUPAC5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine
SMILESFc1ccc(OC2CC3CCC2C3)cn1
InChIInChI=1S/C12H14FNO/c13-12-4-3-10(7-14-12)15-11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2
InChIKeyYBDHIICVORCBHY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.79
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine

5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine (PubChem CID 130494822) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine
PubChem CID130494822
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine
SMILESFc1ccc(OC2CC3CCC2C3)cn1
InChIInChI=1S/C12H14FNO/c13-12-4-3-10(7-14-12)15-11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2
InChIKeyYBDHIICVORCBHY-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.79
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 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine (CID 130494822) is 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine is Fc1ccc(OC2CC3CCC2C3)cn1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine?
The InChIKey is YBDHIICVORCBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-12-4-3-10(7-14-12)15-11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine?
5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine has a molecular weight of 207.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyloxy)-2-fluoropyridine is sourced from PubChem (CID 130494822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).