2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine

C9H6F3N3 — CID 123642897

IUPAC2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)6-1-2-7(15-5-6)8-13-3-4-14-8/h1-5H,(H,13,14)
InChIKeyGXJLSXCHQSNMFH-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.49
Rot. Bonds1

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

2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 123642897) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine
PubChem CID123642897
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)6-1-2-7(15-5-6)8-13-3-4-14-8/h1-5H,(H,13,14)
InChIKeyGXJLSXCHQSNMFH-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine (CID 123642897) is 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2ncc[nH]2)nc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is GXJLSXCHQSNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)6-1-2-7(15-5-6)8-13-3-4-14-8/h1-5H,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine?
2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 213.16 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 123642897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).