3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine

C14H10F3N — CID 91219654

IUPAC3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESC=c1cncc(-c2cccc(C(F)(F)F)c2)c1=C
InChIInChI=1S/C14H10F3N/c1-9-7-18-8-13(10(9)2)11-4-3-5-12(6-11)14(15,16)17/h3-8H,1-2H2
InChIKeyFQINQNPFPUXQHJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.59
Rot. Bonds1

About 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine

3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 91219654) has the molecular formula C14H10F3N and a molecular weight of 249.23 g/mol. Its IUPAC name is 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID91219654
Molecular FormulaC14H10F3N
Molecular Weight249.23 g/mol
Exact Mass249.08
IUPAC Name3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESC=c1cncc(-c2cccc(C(F)(F)F)c2)c1=C
InChIInChI=1S/C14H10F3N/c1-9-7-18-8-13(10(9)2)11-4-3-5-12(6-11)14(15,16)17/h3-8H,1-2H2
InChIKeyFQINQNPFPUXQHJ-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 23459944
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 70654559
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine (CID 91219654) is 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine is C=c1cncc(-c2cccc(C(F)(F)F)c2)c1=C.
What is the InChIKey of 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is FQINQNPFPUXQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N/c1-9-7-18-8-13(10(9)2)11-4-3-5-12(6-11)14(15,16)17/h3-8H,1-2H2.
What are the key properties of 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine?
3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 249.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 91219654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).