2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile

C14H11F3N2 — CID 142302084

IUPAC2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESC=C/C=C(\C=C)Cc1cc(C#N)cc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2/c1-3-5-10(4-2)6-12-7-11(9-18)8-13(19-12)14(15,16)17/h3-5,7-8H,1-2,6H2/b10-5+
InChIKeyVRPLEAZYXMKBCR-BJMVGYQFSA-N
MW264.25 g/mol
LogP3.81
Rot. Bonds4

About 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile

2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 142302084) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID142302084
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESC=C/C=C(\C=C)Cc1cc(C#N)cc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2/c1-3-5-10(4-2)6-12-7-11(9-18)8-13(19-12)14(15,16)17/h3-5,7-8H,1-2,6H2/b10-5+
InChIKeyVRPLEAZYXMKBCR-BJMVGYQFSA-N
XLogP3.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile (CID 142302084) is 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile is C=C/C=C(\C=C)Cc1cc(C#N)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is VRPLEAZYXMKBCR-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H11F3N2/c1-3-5-10(4-2)6-12-7-11(9-18)8-13(19-12)14(15,16)17/h3-5,7-8H,1-2,6H2/b10-5+.
What are the key properties of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile?
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 264.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-6-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 142302084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).