2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

C16H11ClF3N3 — CID 142168262

IUPAC2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESCc1cc(-c2ccnc(Cl)c2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H11ClF3N3/c1-10-7-14(11-5-6-21-15(17)8-11)23(22-10)13-4-2-3-12(9-13)16(18,19)20/h2-9H,1H3
InChIKeyYKPAWABMPZEXHZ-UHFFFAOYSA-N
MW337.73 g/mol
LogP4.91
Rot. Bonds2

About 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 142168262) has the molecular formula C16H11ClF3N3 and a molecular weight of 337.73 g/mol. Its IUPAC name is 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
PubChem CID142168262
Molecular FormulaC16H11ClF3N3
Molecular Weight337.73 g/mol
Exact Mass337.06
IUPAC Name2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESCc1cc(-c2ccnc(Cl)c2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H11ClF3N3/c1-10-7-14(11-5-6-21-15(17)8-11)23(22-10)13-4-2-3-12(9-13)16(18,19)20/h2-9H,1H3
InChIKeyYKPAWABMPZEXHZ-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 54.91
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-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (CID 142168262) is 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is Cc1cc(-c2ccnc(Cl)c2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is YKPAWABMPZEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3/c1-10-7-14(11-5-6-21-15(17)8-11)23(22-10)13-4-2-3-12(9-13)16(18,19)20/h2-9H,1H3.
What are the key properties of 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 337.73 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 142168262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).