6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

C13H7BrF3N3 — CID 118664262

IUPAC6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)(F)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H7BrF3N3/c14-9-5-4-8-7-18-20(10(8)6-9)12-3-1-2-11(19-12)13(15,16)17/h1-7H
InChIKeyWCTJKAWYZBZFJW-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.20
Rot. Bonds1

About 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 118664262) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID118664262
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)(F)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H7BrF3N3/c14-9-5-4-8-7-18-20(10(8)6-9)12-3-1-2-11(19-12)13(15,16)17/h1-7H
InChIKeyWCTJKAWYZBZFJW-UHFFFAOYSA-N
XLogP4.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (CID 118664262) is 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is FC(F)(F)c1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is WCTJKAWYZBZFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-9-5-4-8-7-18-20(10(8)6-9)12-3-1-2-11(19-12)13(15,16)17/h1-7H.
What are the key properties of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 342.12 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 118664262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).