2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine

C15H16F3NO — CID 162555450

IUPAC2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine
SMILESCOC1=CC(C)C(=C2C=CC(C(F)(F)F)=CN2C)C=C1
InChIInChI=1S/C15H16F3NO/c1-10-8-12(20-3)5-6-13(10)14-7-4-11(9-19(14)2)15(16,17)18/h4-10H,1-3H3
InChIKeySXFCDSNFJOXNQH-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.92
Rot. Bonds1

About 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine

2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine (PubChem CID 162555450) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine
PubChem CID162555450
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine
SMILESCOC1=CC(C)C(=C2C=CC(C(F)(F)F)=CN2C)C=C1
InChIInChI=1S/C15H16F3NO/c1-10-8-12(20-3)5-6-13(10)14-7-4-11(9-19(14)2)15(16,17)18/h4-10H,1-3H3
InChIKeySXFCDSNFJOXNQH-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine (CID 162555450) is 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine is COC1=CC(C)C(=C2C=CC(C(F)(F)F)=CN2C)C=C1.
What is the InChIKey of 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is SXFCDSNFJOXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-10-8-12(20-3)5-6-13(10)14-7-4-11(9-19(14)2)15(16,17)18/h4-10H,1-3H3.
What are the key properties of 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine?
2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 283.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-ylidene)-1-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162555450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).