2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine

C16H9F6N3 — CID 141185313

IUPAC2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-n3ccnc3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H9F6N3/c17-15(18,19)12-3-1-10(2-4-12)11-7-13(16(20,21)22)24-14(8-11)25-6-5-23-9-25/h1-9H
InChIKeyCBTVHOOQFYVTPC-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.97
Rot. Bonds2

About 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine

2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 141185313) has the molecular formula C16H9F6N3 and a molecular weight of 357.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID141185313
Molecular FormulaC16H9F6N3
Molecular Weight357.26 g/mol
Exact Mass357.07
IUPAC Name2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-n3ccnc3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H9F6N3/c17-15(18,19)12-3-1-10(2-4-12)11-7-13(16(20,21)22)24-14(8-11)25-6-5-23-9-25/h1-9H
InChIKeyCBTVHOOQFYVTPC-UHFFFAOYSA-N
XLogP4.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
CID 114562950
2-imidazol-1-yl-6-(trifluoromethyl)pyridine
CID 53217359
2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141185333
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
N-ethyl-6-imidazol-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102719535
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
CID 141185347
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719533
2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 73011048

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine (CID 141185313) is 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(-n3ccnc3)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is CBTVHOOQFYVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3/c17-15(18,19)12-3-1-10(2-4-12)11-7-13(16(20,21)22)24-14(8-11)25-6-5-23-9-25/h1-9H.
What are the key properties of 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 357.26 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 141185313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).