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

C9H4ClF4N3 — CID 141290024

IUPAC5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFc1cc(Cl)cnc1-n1nccc1C(F)(F)F
InChIInChI=1S/C9H4ClF4N3/c10-5-3-6(11)8(15-4-5)17-7(1-2-16-17)9(12,13)14/h1-4H
InChIKeyRCTKUIJFFFKHPV-UHFFFAOYSA-N
MW265.60 g/mol
LogP3.08
Rot. Bonds1

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

5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 141290024) has the molecular formula C9H4ClF4N3 and a molecular weight of 265.60 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID141290024
Molecular FormulaC9H4ClF4N3
Molecular Weight265.60 g/mol
Exact Mass265.00
IUPAC Name5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFc1cc(Cl)cnc1-n1nccc1C(F)(F)F
InChIInChI=1S/C9H4ClF4N3/c10-5-3-6(11)8(15-4-5)17-7(1-2-16-17)9(12,13)14/h1-4H
InChIKeyRCTKUIJFFFKHPV-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.60
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 141290024) is 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine is Fc1cc(Cl)cnc1-n1nccc1C(F)(F)F.
What is the InChIKey of 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is RCTKUIJFFFKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF4N3/c10-5-3-6(11)8(15-4-5)17-7(1-2-16-17)9(12,13)14/h1-4H.
What are the key properties of 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 265.60 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 141290024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).