2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine

C9H5ClF3N3O — CID 155451133

IUPAC2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine
SMILESFC(F)(F)c1cc(Oc2ccnc(Cl)c2)n[nH]1
InChIInChI=1S/C9H5ClF3N3O/c10-7-3-5(1-2-14-7)17-8-4-6(15-16-8)9(11,12)13/h1-4H,(H,15,16)
InChIKeyWKCLTWGECTXMDW-UHFFFAOYSA-N
MW263.61 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine

2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine (PubChem CID 155451133) has the molecular formula C9H5ClF3N3O and a molecular weight of 263.61 g/mol. Its IUPAC name is 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine
PubChem CID155451133
Molecular FormulaC9H5ClF3N3O
Molecular Weight263.61 g/mol
Exact Mass263.01
IUPAC Name2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine
SMILESFC(F)(F)c1cc(Oc2ccnc(Cl)c2)n[nH]1
InChIInChI=1S/C9H5ClF3N3O/c10-7-3-5(1-2-14-7)17-8-4-6(15-16-8)9(11,12)13/h1-4H,(H,15,16)
InChIKeyWKCLTWGECTXMDW-UHFFFAOYSA-N
XLogP3.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine?
The IUPAC name of 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine (CID 155451133) is 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine?
The canonical SMILES for 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine is FC(F)(F)c1cc(Oc2ccnc(Cl)c2)n[nH]1.
What is the InChIKey of 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine?
The InChIKey is WKCLTWGECTXMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O/c10-7-3-5(1-2-14-7)17-8-4-6(15-16-8)9(11,12)13/h1-4H,(H,15,16).
What are the key properties of 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine?
2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine has a molecular weight of 263.61 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridine is sourced from PubChem (CID 155451133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).