2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine

C14H16FN — CID 123581453

IUPAC2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine
SMILESC=CC(F)=CC(=C)CCc1ncccc1C
InChIInChI=1S/C14H16FN/c1-4-13(15)10-11(2)7-8-14-12(3)6-5-9-16-14/h4-6,9-10H,1-2,7-8H2,3H3
InChIKeyTXFFJBQATZSMTC-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.92
Rot. Bonds5

About 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine

2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine (PubChem CID 123581453) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine
PubChem CID123581453
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine
SMILESC=CC(F)=CC(=C)CCc1ncccc1C
InChIInChI=1S/C14H16FN/c1-4-13(15)10-11(2)7-8-14-12(3)6-5-9-16-14/h4-6,9-10H,1-2,7-8H2,3H3
InChIKeyTXFFJBQATZSMTC-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine?
The IUPAC name of 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine (CID 123581453) is 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine.
What is the SMILES notation for 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine?
The canonical SMILES for 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine is C=CC(F)=CC(=C)CCc1ncccc1C.
What is the InChIKey of 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine?
The InChIKey is TXFFJBQATZSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-4-13(15)10-11(2)7-8-14-12(3)6-5-9-16-14/h4-6,9-10H,1-2,7-8H2,3H3.
What are the key properties of 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine?
2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine has a molecular weight of 217.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine is sourced from PubChem (CID 123581453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).