1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine

C18H15F3N2 — CID 118399505

IUPAC1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine
SMILESCN1C=CC(=c2ccc(=C3C=CN(C(F)(F)F)C=C3)cc2)C=C1
InChIInChI=1S/C18H15F3N2/c1-22-10-6-16(7-11-22)14-2-4-15(5-3-14)17-8-12-23(13-9-17)18(19,20)21/h2-13H,1H3
InChIKeyVCZDQIQLERZISL-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.82
Rot. Bonds

About 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine

1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine (PubChem CID 118399505) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine.

Molecular Properties

Compound Name1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine
PubChem CID118399505
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine
SMILESCN1C=CC(=c2ccc(=C3C=CN(C(F)(F)F)C=C3)cc2)C=C1
InChIInChI=1S/C18H15F3N2/c1-22-10-6-16(7-11-22)14-2-4-15(5-3-14)17-8-12-23(13-9-17)18(19,20)21/h2-13H,1H3
InChIKeyVCZDQIQLERZISL-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
The IUPAC name of 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine (CID 118399505) is 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine.
What is the SMILES notation for 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
The canonical SMILES for 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine is CN1C=CC(=c2ccc(=C3C=CN(C(F)(F)F)C=C3)cc2)C=C1.
What is the InChIKey of 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
The InChIKey is VCZDQIQLERZISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c1-22-10-6-16(7-11-22)14-2-4-15(5-3-14)17-8-12-23(13-9-17)18(19,20)21/h2-13H,1H3.
What are the key properties of 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine has a molecular weight of 316.33 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine is sourced from PubChem (CID 118399505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).