(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine

C12H14FN — CID 130413140

IUPAC(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
SMILESC=CC/C=C(F)\C=C1\C=CC(C)=NC1
InChIInChI=1S/C12H14FN/c1-3-4-5-12(13)8-11-7-6-10(2)14-9-11/h3,5-8H,1,4,9H2,2H3/b11-8-,12-5+
InChIKeyFCQXGTXKOMKBLN-GPQSSBJBSA-N
MW191.25 g/mol
LogP3.37
Rot. Bonds3

About (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine

(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine (PubChem CID 130413140) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
PubChem CID130413140
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
SMILESC=CC/C=C(F)\C=C1\C=CC(C)=NC1
InChIInChI=1S/C12H14FN/c1-3-4-5-12(13)8-11-7-6-10(2)14-9-11/h3,5-8H,1,4,9H2,2H3/b11-8-,12-5+
InChIKeyFCQXGTXKOMKBLN-GPQSSBJBSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.37
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 (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine?
The IUPAC name of (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine (CID 130413140) is (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine.
What is the SMILES notation for (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine?
The canonical SMILES for (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine is C=CC/C=C(F)\C=C1\C=CC(C)=NC1.
What is the InChIKey of (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine?
The InChIKey is FCQXGTXKOMKBLN-GPQSSBJBSA-N. The full InChI is InChI=1S/C12H14FN/c1-3-4-5-12(13)8-11-7-6-10(2)14-9-11/h3,5-8H,1,4,9H2,2H3/b11-8-,12-5+.
What are the key properties of (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine?
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine has a molecular weight of 191.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine is sourced from PubChem (CID 130413140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).