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

C9H5ClF3N3 — CID 15411124

IUPAC2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)nc2)n[nH]1
InChIInChI=1S/C9H5ClF3N3/c10-8-2-1-5(4-14-8)6-3-7(16-15-6)9(11,12)13/h1-4H,(H,15,16)
InChIKeyWRRSMXHMPJKMJZ-UHFFFAOYSA-N
MW247.61 g/mol
LogP3.14
Rot. Bonds1

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

2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 15411124) has the molecular formula C9H5ClF3N3 and a molecular weight of 247.61 g/mol. Its IUPAC name is 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID15411124
Molecular FormulaC9H5ClF3N3
Molecular Weight247.61 g/mol
Exact Mass247.01
IUPAC Name2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)nc2)n[nH]1
InChIInChI=1S/C9H5ClF3N3/c10-8-2-1-5(4-14-8)6-3-7(16-15-6)9(11,12)13/h1-4H,(H,15,16)
InChIKeyWRRSMXHMPJKMJZ-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 15411124) is 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2ccc(Cl)nc2)n[nH]1.
What is the InChIKey of 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is WRRSMXHMPJKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3/c10-8-2-1-5(4-14-8)6-3-7(16-15-6)9(11,12)13/h1-4H,(H,15,16).
What are the key properties of 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 247.61 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 15411124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).