3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine

C9H5ClF3N3 — CID 91332850

IUPAC3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine
SMILESFC(F)(F)c1cn(-c2ncccc2Cl)cn1
InChIInChI=1S/C9H5ClF3N3/c10-6-2-1-3-14-8(6)16-4-7(15-5-16)9(11,12)13/h1-5H
InChIKeyXECWMRKETPRVAR-UHFFFAOYSA-N
MW247.61 g/mol
LogP2.94
Rot. Bonds1

About 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine

3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine (PubChem CID 91332850) has the molecular formula C9H5ClF3N3 and a molecular weight of 247.61 g/mol. Its IUPAC name is 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine
PubChem CID91332850
Molecular FormulaC9H5ClF3N3
Molecular Weight247.61 g/mol
Exact Mass247.01
IUPAC Name3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine
SMILESFC(F)(F)c1cn(-c2ncccc2Cl)cn1
InChIInChI=1S/C9H5ClF3N3/c10-6-2-1-3-14-8(6)16-4-7(15-5-16)9(11,12)13/h1-5H
InChIKeyXECWMRKETPRVAR-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine (CID 91332850) is 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine is FC(F)(F)c1cn(-c2ncccc2Cl)cn1.
What is the InChIKey of 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine?
The InChIKey is XECWMRKETPRVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3/c10-6-2-1-3-14-8(6)16-4-7(15-5-16)9(11,12)13/h1-5H.
What are the key properties of 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine?
3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine has a molecular weight of 247.61 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(trifluoromethyl)imidazol-1-yl]pyridine is sourced from PubChem (CID 91332850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).