3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine

C14H12F3N — CID 134532799

IUPAC3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
SMILESCCc1cc(-c2cccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N/c1-2-10-6-12(11-4-3-5-18-9-11)8-13(7-10)14(15,16)17/h3-9H,2H2,1H3
InChIKeyFXLGMHJKLVOPTF-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.33
Rot. Bonds2

About 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine

3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 134532799) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
PubChem CID134532799
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
SMILESCCc1cc(-c2cccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N/c1-2-10-6-12(11-4-3-5-18-9-11)8-13(7-10)14(15,16)17/h3-9H,2H2,1H3
InChIKeyFXLGMHJKLVOPTF-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
ethyl 3-pyridin-3-yl-5-(trifluoromethyl)benzoate
CID 46317775
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
3-[3-[6-[3,5-bis(trifluoromethyl)phenyl]dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610894
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
CID 143888698
3-(3-propylphenyl)pyridine
CID 69055272
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426
4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
CID 46316208

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine (CID 134532799) is 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine is CCc1cc(-c2cccnc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is FXLGMHJKLVOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-2-10-6-12(11-4-3-5-18-9-11)8-13(7-10)14(15,16)17/h3-9H,2H2,1H3.
What are the key properties of 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine?
3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 251.25 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134532799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).