5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine

C10H16FN — CID 130684600

IUPAC5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine
SMILESC=C(CC)CN1CCC=C(F)C1
InChIInChI=1S/C10H16FN/c1-3-9(2)7-12-6-4-5-10(11)8-12/h5H,2-4,6-8H2,1H3
InChIKeyQGVHTGNXEASPNB-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.51
Rot. Bonds3

About 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine (PubChem CID 130684600) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine
PubChem CID130684600
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine
SMILESC=C(CC)CN1CCC=C(F)C1
InChIInChI=1S/C10H16FN/c1-3-9(2)7-12-6-4-5-10(11)8-12/h5H,2-4,6-8H2,1H3
InChIKeyQGVHTGNXEASPNB-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 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 ≤ 52.51
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 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine (CID 130684600) is 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine is C=C(CC)CN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine?
The InChIKey is QGVHTGNXEASPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-9(2)7-12-6-4-5-10(11)8-12/h5H,2-4,6-8H2,1H3.
What are the key properties of 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine has a molecular weight of 169.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130684600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).