2-butyl-6-fluoro-2,5-dihydropyridine

C9H14FN — CID 12754568

IUPAC2-butyl-6-fluoro-2,5-dihydropyridine
SMILESCCCCC1C=CCC(F)=N1
InChIInChI=1S/C9H14FN/c1-2-3-5-8-6-4-7-9(10)11-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyOWHFLLQARNKBAU-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.87
Rot. Bonds3

About 2-butyl-6-fluoro-2,5-dihydropyridine

2-butyl-6-fluoro-2,5-dihydropyridine (PubChem CID 12754568) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-butyl-6-fluoro-2,5-dihydropyridine.

Molecular Properties

Compound Name2-butyl-6-fluoro-2,5-dihydropyridine
PubChem CID12754568
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-butyl-6-fluoro-2,5-dihydropyridine
SMILESCCCCC1C=CCC(F)=N1
InChIInChI=1S/C9H14FN/c1-2-3-5-8-6-4-7-9(10)11-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyOWHFLLQARNKBAU-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
2-Butyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123371459
2-Butyl-6-fluoro-2,5-dihydro-5-methylpyridine
CID 12754572
2-Butyl-5-ethyl-6-fluoro-2,5-dihydropyridine
CID 12754573
2-Butyl-6-fluoro-5-propan-2-yl-2,5-dihydropyridine
CID 12754574
N-(Cyclohex-2-en-1-yl)cyclohexanimine
CID 13272647
N-cyclohex-2-en-1-ylpropan-1-imine
CID 123986821
6-Propyl-2,5-dihydropyridine
CID 142113155

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-fluoro-2,5-dihydropyridine?
The IUPAC name of 2-butyl-6-fluoro-2,5-dihydropyridine (CID 12754568) is 2-butyl-6-fluoro-2,5-dihydropyridine.
What is the SMILES notation for 2-butyl-6-fluoro-2,5-dihydropyridine?
The canonical SMILES for 2-butyl-6-fluoro-2,5-dihydropyridine is CCCCC1C=CCC(F)=N1.
What is the InChIKey of 2-butyl-6-fluoro-2,5-dihydropyridine?
The InChIKey is OWHFLLQARNKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-2-3-5-8-6-4-7-9(10)11-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 2-butyl-6-fluoro-2,5-dihydropyridine?
2-butyl-6-fluoro-2,5-dihydropyridine has a molecular weight of 155.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-fluoro-2,5-dihydropyridine is sourced from PubChem (CID 12754568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).