1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine

C12H11F3N2 — CID 118952259

IUPAC1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
SMILESCN1C=CC(=C2C=CN(C(F)(F)F)C=C2)C=C1
InChIInChI=1S/C12H11F3N2/c1-16-6-2-10(3-7-16)11-4-8-17(9-5-11)12(13,14)15/h2-9H,1H3
InChIKeyBJQKLQYREJHJQK-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.12
Rot. Bonds

About 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine

1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine (PubChem CID 118952259) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine.

Molecular Properties

Compound Name1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
PubChem CID118952259
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
SMILESCN1C=CC(=C2C=CN(C(F)(F)F)C=C2)C=C1
InChIInChI=1S/C12H11F3N2/c1-16-6-2-10(3-7-16)11-4-8-17(9-5-11)12(13,14)15/h2-9H,1H3
InChIKeyBJQKLQYREJHJQK-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.12
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-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
The IUPAC name of 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine (CID 118952259) is 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine.
What is the SMILES notation for 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
The canonical SMILES for 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine is CN1C=CC(=C2C=CN(C(F)(F)F)C=C2)C=C1.
What is the InChIKey of 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
The InChIKey is BJQKLQYREJHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-16-6-2-10(3-7-16)11-4-8-17(9-5-11)12(13,14)15/h2-9H,1H3.
What are the key properties of 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine has a molecular weight of 240.23 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine is sourced from PubChem (CID 118952259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).