2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine

C14H12F3N — CID 126636393

IUPAC2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine
SMILESC=C1C=CC(c2cc(C(F)(F)F)ccc2C)=CN1
InChIInChI=1S/C14H12F3N/c1-9-3-6-12(14(15,16)17)7-13(9)11-5-4-10(2)18-8-11/h3-8,18H,2H2,1H3
InChIKeyBTKABMOSCOZVDE-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.03
Rot. Bonds1

About 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine

2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine (PubChem CID 126636393) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine
PubChem CID126636393
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine
SMILESC=C1C=CC(c2cc(C(F)(F)F)ccc2C)=CN1
InChIInChI=1S/C14H12F3N/c1-9-3-6-12(14(15,16)17)7-13(9)11-5-4-10(2)18-8-11/h3-8,18H,2H2,1H3
InChIKeyBTKABMOSCOZVDE-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine?
The IUPAC name of 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine (CID 126636393) is 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine.
What is the SMILES notation for 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine?
The canonical SMILES for 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine is C=C1C=CC(c2cc(C(F)(F)F)ccc2C)=CN1.
What is the InChIKey of 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine?
The InChIKey is BTKABMOSCOZVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-3-6-12(14(15,16)17)7-13(9)11-5-4-10(2)18-8-11/h3-8,18H,2H2,1H3.
What are the key properties of 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine?
2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine has a molecular weight of 251.25 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyridine is sourced from PubChem (CID 126636393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).