5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine

C10H8F3N3 — CID 151562232

IUPAC5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(C(F)(F)F)nc2)[nH]1
InChIInChI=1S/C10H8F3N3/c1-6-4-15-9(16-6)7-2-3-8(14-5-7)10(11,12)13/h2-5H,1H3,(H,15,16)/i1D3
InChIKeyQCSAGIPMTZIRPT-FIBGUPNXSA-N
MW230.21 g/mol
LogP2.80
Rot. Bonds2

About 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine

5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine (PubChem CID 151562232) has the molecular formula C10H8F3N3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine
PubChem CID151562232
Molecular FormulaC10H8F3N3
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(C(F)(F)F)nc2)[nH]1
InChIInChI=1S/C10H8F3N3/c1-6-4-15-9(16-6)7-2-3-8(14-5-7)10(11,12)13/h2-5H,1H3,(H,15,16)/i1D3
InChIKeyQCSAGIPMTZIRPT-FIBGUPNXSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 22759818
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
CID 44512575
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 57361979
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 102525607
5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
CID 20709477
2-tert-butyl-5-(1H-imidazol-2-yl)pyridine
CID 20709460
4-(5-methyl-1H-imidazol-2-yl)benzoic acid
CID 57290207

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine (CID 151562232) is 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc(C(F)(F)F)nc2)[nH]1.
What is the InChIKey of 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is QCSAGIPMTZIRPT-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-6-4-15-9(16-6)7-2-3-8(14-5-7)10(11,12)13/h2-5H,1H3,(H,15,16)/i1D3.
What are the key properties of 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine?
5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 230.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 151562232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).