3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine

C10H12FN — CID 91439581

IUPAC3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine
SMILESC=CC(C)(C)c1cncc(F)c1
InChIInChI=1S/C10H12FN/c1-4-10(2,3)8-5-9(11)7-12-6-8/h4-7H,1H2,2-3H3
InChIKeyFACUNBVLWLZXAP-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.68
Rot. Bonds2

About 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine

3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine (PubChem CID 91439581) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine
PubChem CID91439581
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine
SMILESC=CC(C)(C)c1cncc(F)c1
InChIInChI=1S/C10H12FN/c1-4-10(2,3)8-5-9(11)7-12-6-8/h4-7H,1H2,2-3H3
InChIKeyFACUNBVLWLZXAP-UHFFFAOYSA-N
XLogP2.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine?
The IUPAC name of 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine (CID 91439581) is 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine.
What is the SMILES notation for 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine?
The canonical SMILES for 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine is C=CC(C)(C)c1cncc(F)c1.
What is the InChIKey of 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine?
The InChIKey is FACUNBVLWLZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-4-10(2,3)8-5-9(11)7-12-6-8/h4-7H,1H2,2-3H3.
What are the key properties of 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine?
3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine has a molecular weight of 165.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine is sourced from PubChem (CID 91439581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).