2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine

C11H7BrF5N3 — CID 134202576

IUPAC2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H7BrF5N3/c12-6-4-20(5-9(13)14)19-10(6)7-2-1-3-8(18-7)11(15,16)17/h1-4,9H,5H2
InChIKeyBXVJUQXQADKEDO-UHFFFAOYSA-N
MW356.09 g/mol
LogP3.99
Rot. Bonds3

About 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine

2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine (PubChem CID 134202576) has the molecular formula C11H7BrF5N3 and a molecular weight of 356.09 g/mol. Its IUPAC name is 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine
PubChem CID134202576
Molecular FormulaC11H7BrF5N3
Molecular Weight356.09 g/mol
Exact Mass354.97
IUPAC Name2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H7BrF5N3/c12-6-4-20(5-9(13)14)19-10(6)7-2-1-3-8(18-7)11(15,16)17/h1-4,9H,5H2
InChIKeyBXVJUQXQADKEDO-UHFFFAOYSA-N
XLogP3.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.09
LogP ≤ 53.99
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-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine (CID 134202576) is 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine is FC(F)Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is BXVJUQXQADKEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF5N3/c12-6-4-20(5-9(13)14)19-10(6)7-2-1-3-8(18-7)11(15,16)17/h1-4,9H,5H2.
What are the key properties of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine?
2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 356.09 g/mol, XLogP of 3.99, 3 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-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134202576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).