(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine

C11H12FN — CID 90145839

IUPAC(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
SMILESC=C(F)/C=C\C=C1\C=CC(C)=NC1
InChIInChI=1S/C11H12FN/c1-9(12)4-3-5-11-7-6-10(2)13-8-11/h3-7H,1,8H2,2H3/b4-3-,11-5-
InChIKeyIBRZHNJAZHCOIC-RUTRJIIFSA-N
MW177.22 g/mol
LogP2.98
Rot. Bonds2

About (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine

(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine (PubChem CID 90145839) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine.

Molecular Properties

Compound Name(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
PubChem CID90145839
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
SMILESC=C(F)/C=C\C=C1\C=CC(C)=NC1
InChIInChI=1S/C11H12FN/c1-9(12)4-3-5-11-7-6-10(2)13-8-11/h3-7H,1,8H2,2H3/b4-3-,11-5-
InChIKeyIBRZHNJAZHCOIC-RUTRJIIFSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.98
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 (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine?
The IUPAC name of (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine (CID 90145839) is (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine.
What is the SMILES notation for (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine?
The canonical SMILES for (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine is C=C(F)/C=C\C=C1\C=CC(C)=NC1.
What is the InChIKey of (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine?
The InChIKey is IBRZHNJAZHCOIC-RUTRJIIFSA-N. The full InChI is InChI=1S/C11H12FN/c1-9(12)4-3-5-11-7-6-10(2)13-8-11/h3-7H,1,8H2,2H3/b4-3-,11-5-.
What are the key properties of (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine?
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine has a molecular weight of 177.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine is sourced from PubChem (CID 90145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).