2-fluoro-6-(6-propyl-3-pyridinyl)pyridine

C13H13FN2 — CID 143839738

IUPAC2-fluoro-6-(6-propyl-3-pyridinyl)pyridine
SMILESCCCc1ccc(-c2cccc(F)n2)cn1
InChIInChI=1S/C13H13FN2/c1-2-4-11-8-7-10(9-15-11)12-5-3-6-13(14)16-12/h3,5-9H,2,4H2,1H3
InChIKeyIEMUDBKOBFDTTJ-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.24
Rot. Bonds3

About 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine

2-fluoro-6-(6-propyl-3-pyridinyl)pyridine (PubChem CID 143839738) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(6-propyl-3-pyridinyl)pyridine
PubChem CID143839738
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-fluoro-6-(6-propyl-3-pyridinyl)pyridine
SMILESCCCc1ccc(-c2cccc(F)n2)cn1
InChIInChI=1S/C13H13FN2/c1-2-4-11-8-7-10(9-15-11)12-5-3-6-13(14)16-12/h3,5-9H,2,4H2,1H3
InChIKeyIEMUDBKOBFDTTJ-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.24
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-(6-propyl-3-pyridinyl)pyridine?
The IUPAC name of 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine (CID 143839738) is 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine is CCCc1ccc(-c2cccc(F)n2)cn1.
What is the InChIKey of 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine?
The InChIKey is IEMUDBKOBFDTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-2-4-11-8-7-10(9-15-11)12-5-3-6-13(14)16-12/h3,5-9H,2,4H2,1H3.
What are the key properties of 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine?
2-fluoro-6-(6-propyl-3-pyridinyl)pyridine has a molecular weight of 216.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(6-propyl-3-pyridinyl)pyridine is sourced from PubChem (CID 143839738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).