2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

C15H9ClF3N3 — CID 118555187

IUPAC2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cccc(-n2nccc2-c2ccnc(Cl)c2)c1
InChIInChI=1S/C15H9ClF3N3/c16-14-8-10(4-6-20-14)13-5-7-21-22(13)12-3-1-2-11(9-12)15(17,18)19/h1-9H
InChIKeyYLROEZMCVRFBSM-UHFFFAOYSA-N
MW323.71 g/mol
LogP4.61
Rot. Bonds2

About 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 118555187) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
PubChem CID118555187
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cccc(-n2nccc2-c2ccnc(Cl)c2)c1
InChIInChI=1S/C15H9ClF3N3/c16-14-8-10(4-6-20-14)13-5-7-21-22(13)12-3-1-2-11(9-12)15(17,18)19/h1-9H
InChIKeyYLROEZMCVRFBSM-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 54.61
H-Bond Donors ≤ 50
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-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (CID 118555187) is 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is FC(F)(F)c1cccc(-n2nccc2-c2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is YLROEZMCVRFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c16-14-8-10(4-6-20-14)13-5-7-21-22(13)12-3-1-2-11(9-12)15(17,18)19/h1-9H.
What are the key properties of 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 323.71 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 118555187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).