5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

C10H7BrF3N3O — CID 166174831

IUPAC5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESFC(F)(F)COc1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C10H7BrF3N3O/c11-7-1-2-9(15-3-7)17-5-8(4-16-17)18-6-10(12,13)14/h1-5H,6H2
InChIKeyLPZNXMCPHFYEGM-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.97
Rot. Bonds3

About 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (PubChem CID 166174831) has the molecular formula C10H7BrF3N3O and a molecular weight of 322.08 g/mol. Its IUPAC name is 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
PubChem CID166174831
Molecular FormulaC10H7BrF3N3O
Molecular Weight322.08 g/mol
Exact Mass320.97
IUPAC Name5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESFC(F)(F)COc1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C10H7BrF3N3O/c11-7-1-2-9(15-3-7)17-5-8(4-16-17)18-6-10(12,13)14/h1-5H,6H2
InChIKeyLPZNXMCPHFYEGM-UHFFFAOYSA-N
XLogP2.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (CID 166174831) is 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is FC(F)(F)COc1cnn(-c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The InChIKey is LPZNXMCPHFYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O/c11-7-1-2-9(15-3-7)17-5-8(4-16-17)18-6-10(12,13)14/h1-5H,6H2.
What are the key properties of 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine has a molecular weight of 322.08 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is sourced from PubChem (CID 166174831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).