2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine

C10H6BrF4N3 — CID 162760807

IUPAC2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
SMILESFc1ccc(-c2nn(CC(F)(F)F)cc2Br)nc1
InChIInChI=1S/C10H6BrF4N3/c11-7-4-18(5-10(13,14)15)17-9(7)8-2-1-6(12)3-16-8/h1-4H,5H2
InChIKeyYYOBZCZWUCJPJE-UHFFFAOYSA-N
MW324.08 g/mol
LogP3.41
Rot. Bonds2

About 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine

2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine (PubChem CID 162760807) has the molecular formula C10H6BrF4N3 and a molecular weight of 324.08 g/mol. Its IUPAC name is 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
PubChem CID162760807
Molecular FormulaC10H6BrF4N3
Molecular Weight324.08 g/mol
Exact Mass322.97
IUPAC Name2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
SMILESFc1ccc(-c2nn(CC(F)(F)F)cc2Br)nc1
InChIInChI=1S/C10H6BrF4N3/c11-7-4-18(5-10(13,14)15)17-9(7)8-2-1-6(12)3-16-8/h1-4H,5H2
InChIKeyYYOBZCZWUCJPJE-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
The IUPAC name of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine (CID 162760807) is 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
The canonical SMILES for 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine is Fc1ccc(-c2nn(CC(F)(F)F)cc2Br)nc1.
What is the InChIKey of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
The InChIKey is YYOBZCZWUCJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF4N3/c11-7-4-18(5-10(13,14)15)17-9(7)8-2-1-6(12)3-16-8/h1-4H,5H2.
What are the key properties of 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine?
2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine has a molecular weight of 324.08 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine is sourced from PubChem (CID 162760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).