2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine

C16H16F3NO — CID 20709419

IUPAC2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C16H16F3NO/c1-15(2,3)14-8-7-12(10-20-14)11-5-4-6-13(9-11)21-16(17,18)19/h4-10H,1-3H3
InChIKeyHCKVBHVURKPQEP-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.94
Rot. Bonds2

About 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine

2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 20709419) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID20709419
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C16H16F3NO/c1-15(2,3)14-8-7-12(10-20-14)11-5-4-6-13(9-11)21-16(17,18)19/h4-10H,1-3H3
InChIKeyHCKVBHVURKPQEP-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
CID 20709477
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
2-methoxy-5-nitro-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 134620874
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine (CID 20709419) is 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine is CC(C)(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is HCKVBHVURKPQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-15(2,3)14-8-7-12(10-20-14)11-5-4-6-13(9-11)21-16(17,18)19/h4-10H,1-3H3.
What are the key properties of 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine?
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 295.30 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 20709419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).