2-fluoro-6-(3-methylbutan-2-yl)pyridine

C10H14FN — CID 164552856

IUPAC2-fluoro-6-(3-methylbutan-2-yl)pyridine
SMILESCC(C)C(C)c1cccc(F)n1
InChIInChI=1S/C10H14FN/c1-7(2)8(3)9-5-4-6-10(11)12-9/h4-8H,1-3H3
InChIKeyUEGKWFNENKZDLJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.98
Rot. Bonds2

About 2-fluoro-6-(3-methylbutan-2-yl)pyridine

2-fluoro-6-(3-methylbutan-2-yl)pyridine (PubChem CID 164552856) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-fluoro-6-(3-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(3-methylbutan-2-yl)pyridine
PubChem CID164552856
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-fluoro-6-(3-methylbutan-2-yl)pyridine
SMILESCC(C)C(C)c1cccc(F)n1
InChIInChI=1S/C10H14FN/c1-7(2)8(3)9-5-4-6-10(11)12-9/h4-8H,1-3H3
InChIKeyUEGKWFNENKZDLJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-methylbutan-2-yl)pyridine?
The IUPAC name of 2-fluoro-6-(3-methylbutan-2-yl)pyridine (CID 164552856) is 2-fluoro-6-(3-methylbutan-2-yl)pyridine.
What is the SMILES notation for 2-fluoro-6-(3-methylbutan-2-yl)pyridine?
The canonical SMILES for 2-fluoro-6-(3-methylbutan-2-yl)pyridine is CC(C)C(C)c1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(3-methylbutan-2-yl)pyridine?
The InChIKey is UEGKWFNENKZDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(2)8(3)9-5-4-6-10(11)12-9/h4-8H,1-3H3.
What are the key properties of 2-fluoro-6-(3-methylbutan-2-yl)pyridine?
2-fluoro-6-(3-methylbutan-2-yl)pyridine has a molecular weight of 167.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methylbutan-2-yl)pyridine is sourced from PubChem (CID 164552856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).