6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine

C13H16FN — CID 144941228

IUPAC6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine
SMILESC=Cc1ccc(C(C)CC)nc1C(=C)F
InChIInChI=1S/C13H16FN/c1-5-9(3)12-8-7-11(6-2)13(15-12)10(4)14/h6-9H,2,4-5H2,1,3H3
InChIKeyOQWIGFUBXVQRBL-UHFFFAOYSA-N
MW205.28 g/mol
LogP4.18
Rot. Bonds4

About 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine

6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine (PubChem CID 144941228) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine.

Molecular Properties

Compound Name6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine
PubChem CID144941228
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine
SMILESC=Cc1ccc(C(C)CC)nc1C(=C)F
InChIInChI=1S/C13H16FN/c1-5-9(3)12-8-7-11(6-2)13(15-12)10(4)14/h6-9H,2,4-5H2,1,3H3
InChIKeyOQWIGFUBXVQRBL-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine?
The IUPAC name of 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine (CID 144941228) is 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine.
What is the SMILES notation for 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine?
The canonical SMILES for 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine is C=Cc1ccc(C(C)CC)nc1C(=C)F.
What is the InChIKey of 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine?
The InChIKey is OQWIGFUBXVQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-5-9(3)12-8-7-11(6-2)13(15-12)10(4)14/h6-9H,2,4-5H2,1,3H3.
What are the key properties of 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine?
6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine has a molecular weight of 205.28 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethenyl-2-(1-fluoroethenyl)pyridine is sourced from PubChem (CID 144941228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).