1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine

C9H8F3N3 — CID 67694992

IUPAC1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)C1=CCN(c2ncc[nH]2)C=C1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)7-1-5-15(6-2-7)8-13-3-4-14-8/h1-5H,6H2,(H,13,14)
InChIKeyUMKKASMPRLGVQR-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.23
Rot. Bonds1

About 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine

1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine (PubChem CID 67694992) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine
PubChem CID67694992
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)C1=CCN(c2ncc[nH]2)C=C1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)7-1-5-15(6-2-7)8-13-3-4-14-8/h1-5H,6H2,(H,13,14)
InChIKeyUMKKASMPRLGVQR-UHFFFAOYSA-N
XLogP2.23
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine (CID 67694992) is 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine is FC(F)(F)C1=CCN(c2ncc[nH]2)C=C1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine?
The InChIKey is UMKKASMPRLGVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-9(11,12)7-1-5-15(6-2-7)8-13-3-4-14-8/h1-5H,6H2,(H,13,14).
What are the key properties of 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine?
1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine has a molecular weight of 215.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 67694992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).