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

C10H16FN — CID 12754572

IUPAC2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine
SMILESCCCCC1C=CC(C)C(F)=N1
InChIInChI=1S/C10H16FN/c1-3-4-5-9-7-6-8(2)10(11)12-9/h6-9H,3-5H2,1-2H3
InChIKeyYVPWBZGTNVOSAX-UHFFFAOYSA-N
MW169.24 g/mol
LogP3.12
Rot. Bonds3

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

2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine (PubChem CID 12754572) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine
PubChem CID12754572
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine
SMILESCCCCC1C=CC(C)C(F)=N1
InChIInChI=1S/C10H16FN/c1-3-4-5-9-7-6-8(2)10(11)12-9/h6-9H,3-5H2,1-2H3
InChIKeyYVPWBZGTNVOSAX-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine?
The IUPAC name of 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine (CID 12754572) is 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine.
What is the SMILES notation for 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine?
The canonical SMILES for 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine is CCCCC1C=CC(C)C(F)=N1.
What is the InChIKey of 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine?
The InChIKey is YVPWBZGTNVOSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-4-5-9-7-6-8(2)10(11)12-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine?
2-butyl-6-fluoro-5-methyl-2,5-dihydropyridine has a molecular weight of 169.24 g/mol, XLogP of 3.12, 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-5-methyl-2,5-dihydropyridine is sourced from PubChem (CID 12754572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).