2-fluoro-3-(3-methylbutyl)pyridine

C10H14FN — CID 156848647

IUPAC2-fluoro-3-(3-methylbutyl)pyridine
SMILESCC(C)CCc1cccnc1F
InChIInChI=1S/C10H14FN/c1-8(2)5-6-9-4-3-7-12-10(9)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVJNVVMBQPCBRBZ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.81
Rot. Bonds3

About 2-fluoro-3-(3-methylbutyl)pyridine

2-fluoro-3-(3-methylbutyl)pyridine (PubChem CID 156848647) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-fluoro-3-(3-methylbutyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(3-methylbutyl)pyridine
PubChem CID156848647
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-fluoro-3-(3-methylbutyl)pyridine
SMILESCC(C)CCc1cccnc1F
InChIInChI=1S/C10H14FN/c1-8(2)5-6-9-4-3-7-12-10(9)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVJNVVMBQPCBRBZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.81
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-3-(3-methylbutyl)pyridine?
The IUPAC name of 2-fluoro-3-(3-methylbutyl)pyridine (CID 156848647) is 2-fluoro-3-(3-methylbutyl)pyridine.
What is the SMILES notation for 2-fluoro-3-(3-methylbutyl)pyridine?
The canonical SMILES for 2-fluoro-3-(3-methylbutyl)pyridine is CC(C)CCc1cccnc1F.
What is the InChIKey of 2-fluoro-3-(3-methylbutyl)pyridine?
The InChIKey is VJNVVMBQPCBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(2)5-6-9-4-3-7-12-10(9)11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-3-(3-methylbutyl)pyridine?
2-fluoro-3-(3-methylbutyl)pyridine has a molecular weight of 167.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-methylbutyl)pyridine is sourced from PubChem (CID 156848647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).