1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine

C15H13F6N — CID 162592908

IUPAC1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine
SMILESCC1C=C(C(F)(F)F)C=C(C(F)(F)F)C1=C1C=CC=CN1C
InChIInChI=1S/C15H13F6N/c1-9-7-10(14(16,17)18)8-11(15(19,20)21)13(9)12-5-3-4-6-22(12)2/h3-9H,1-2H3
InChIKeyVEIDNEUAFOLSTL-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.88
Rot. Bonds

About 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine

1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine (PubChem CID 162592908) has the molecular formula C15H13F6N and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine.

Molecular Properties

Compound Name1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine
PubChem CID162592908
Molecular FormulaC15H13F6N
Molecular Weight321.26 g/mol
Exact Mass321.10
IUPAC Name1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine
SMILESCC1C=C(C(F)(F)F)C=C(C(F)(F)F)C1=C1C=CC=CN1C
InChIInChI=1S/C15H13F6N/c1-9-7-10(14(16,17)18)8-11(15(19,20)21)13(9)12-5-3-4-6-22(12)2/h3-9H,1-2H3
InChIKeyVEIDNEUAFOLSTL-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine?
The IUPAC name of 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine (CID 162592908) is 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine.
What is the SMILES notation for 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine?
The canonical SMILES for 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine is CC1C=C(C(F)(F)F)C=C(C(F)(F)F)C1=C1C=CC=CN1C.
What is the InChIKey of 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine?
The InChIKey is VEIDNEUAFOLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N/c1-9-7-10(14(16,17)18)8-11(15(19,20)21)13(9)12-5-3-4-6-22(12)2/h3-9H,1-2H3.
What are the key properties of 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine?
1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine has a molecular weight of 321.26 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]pyridine is sourced from PubChem (CID 162592908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).