4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide

C14H10F3N-2 — CID 139126665

IUPAC4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide
SMILESFC(F)(F)C1=C[CH-]C(=CC=C2C=CN=C[CH-]2)C=C1
InChIInChI=1S/C14H10F3N/c15-14(16,17)13-5-3-11(4-6-13)1-2-12-7-9-18-10-8-12/h1-10H/q-2
InChIKeyMXRGSWZBTZVLTA-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.90
Rot. Bonds1

About 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide

4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide (PubChem CID 139126665) has the molecular formula C14H10F3N-2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide
PubChem CID139126665
Molecular FormulaC14H10F3N-2
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide
SMILESFC(F)(F)C1=C[CH-]C(=CC=C2C=CN=C[CH-]2)C=C1
InChIInChI=1S/C14H10F3N/c15-14(16,17)13-5-3-11(4-6-13)1-2-12-7-9-18-10-8-12/h1-10H/q-2
InChIKeyMXRGSWZBTZVLTA-UHFFFAOYSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide?
The IUPAC name of 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide (CID 139126665) is 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide is FC(F)(F)C1=C[CH-]C(=CC=C2C=CN=C[CH-]2)C=C1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide?
The InChIKey is MXRGSWZBTZVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N/c15-14(16,17)13-5-3-11(4-6-13)1-2-12-7-9-18-10-8-12/h1-10H/q-2.
What are the key properties of 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide?
4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide has a molecular weight of 249.24 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethylidene]-3H-pyridin-3-ide is sourced from PubChem (CID 139126665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).