2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C15H8F5N3 — CID 66823341

IUPAC2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFc1ccc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)c(F)c1
InChIInChI=1S/C15H8F5N3/c16-8-4-5-9(10(17)6-8)11-2-1-3-12(21-11)13-7-14(23-22-13)15(18,19)20/h1-7H,(H,22,23)
InChIKeyMULQZBNHPATLDF-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.44
Rot. Bonds2

About 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 66823341) has the molecular formula C15H8F5N3 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID66823341
Molecular FormulaC15H8F5N3
Molecular Weight325.24 g/mol
Exact Mass325.06
IUPAC Name2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFc1ccc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)c(F)c1
InChIInChI=1S/C15H8F5N3/c16-8-4-5-9(10(17)6-8)11-2-1-3-12(21-11)13-7-14(23-22-13)15(18,19)20/h1-7H,(H,22,23)
InChIKeyMULQZBNHPATLDF-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 66823341) is 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is Fc1ccc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is MULQZBNHPATLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3/c16-8-4-5-9(10(17)6-8)11-2-1-3-12(21-11)13-7-14(23-22-13)15(18,19)20/h1-7H,(H,22,23).
What are the key properties of 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 325.24 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 66823341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).