2-fluoro-6-(phenylmethoxymethyl)pyridine

C13H12FNO — CID 50936851

IUPAC2-fluoro-6-(phenylmethoxymethyl)pyridine
SMILESFc1cccc(COCc2ccccc2)n1
InChIInChI=1S/C13H12FNO/c14-13-8-4-7-12(15-13)10-16-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyRJLGOJDOLXXWOO-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.94
Rot. Bonds4

About 2-fluoro-6-(phenylmethoxymethyl)pyridine

2-fluoro-6-(phenylmethoxymethyl)pyridine (PubChem CID 50936851) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-fluoro-6-(phenylmethoxymethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(phenylmethoxymethyl)pyridine
PubChem CID50936851
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name2-fluoro-6-(phenylmethoxymethyl)pyridine
SMILESFc1cccc(COCc2ccccc2)n1
InChIInChI=1S/C13H12FNO/c14-13-8-4-7-12(15-13)10-16-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyRJLGOJDOLXXWOO-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.94
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-fluoro-6-(phenylmethoxymethyl)pyridine?
The IUPAC name of 2-fluoro-6-(phenylmethoxymethyl)pyridine (CID 50936851) is 2-fluoro-6-(phenylmethoxymethyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(phenylmethoxymethyl)pyridine?
The canonical SMILES for 2-fluoro-6-(phenylmethoxymethyl)pyridine is Fc1cccc(COCc2ccccc2)n1.
What is the InChIKey of 2-fluoro-6-(phenylmethoxymethyl)pyridine?
The InChIKey is RJLGOJDOLXXWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-13-8-4-7-12(15-13)10-16-9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-fluoro-6-(phenylmethoxymethyl)pyridine?
2-fluoro-6-(phenylmethoxymethyl)pyridine has a molecular weight of 217.24 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(phenylmethoxymethyl)pyridine is sourced from PubChem (CID 50936851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).