2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine

C17H18F3NO — CID 118455092

IUPAC2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)(C)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3NO/c1-16(2,3)10-14-7-4-13(11-21-14)12-5-8-15(9-6-12)22-17(18,19)20/h4-9,11H,10H2,1-3H3
InChIKeyZRBIOGOTSCJYNM-UHFFFAOYSA-N
MW309.33 g/mol
LogP5.24
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine

2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 118455092) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID118455092
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)(C)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3NO/c1-16(2,3)10-14-7-4-13(11-21-14)12-5-8-15(9-6-12)22-17(18,19)20/h4-9,11H,10H2,1-3H3
InChIKeyZRBIOGOTSCJYNM-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.33
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one
CID 118431522
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
4-[4-(trifluoromethoxy)phenyl]pyridazin-1-ium-1-amine iodide
CID 134543762
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 4144926
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 118455092) is 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine is CC(C)(C)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is ZRBIOGOTSCJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-16(2,3)10-14-7-4-13(11-21-14)12-5-8-15(9-6-12)22-17(18,19)20/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 309.33 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 118455092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).