6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine

C13H8BrF3N4 — CID 162574457

IUPAC6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine
SMILESNc1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H8BrF3N4/c14-7-4-9(18)8-6-19-21(10(8)5-7)12-3-1-2-11(20-12)13(15,16)17/h1-6H,18H2
InChIKeyLADQSHQGIGZRHR-UHFFFAOYSA-N
MW357.13 g/mol
LogP3.78
Rot. Bonds1

About 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine

6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine (PubChem CID 162574457) has the molecular formula C13H8BrF3N4 and a molecular weight of 357.13 g/mol. Its IUPAC name is 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine.

Molecular Properties

Compound Name6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine
PubChem CID162574457
Molecular FormulaC13H8BrF3N4
Molecular Weight357.13 g/mol
Exact Mass355.99
IUPAC Name6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine
SMILESNc1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H8BrF3N4/c14-7-4-9(18)8-6-19-21(10(8)5-7)12-3-1-2-11(20-12)13(15,16)17/h1-6H,18H2
InChIKeyLADQSHQGIGZRHR-UHFFFAOYSA-N
XLogP3.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine?
The IUPAC name of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine (CID 162574457) is 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine.
What is the SMILES notation for 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine?
The canonical SMILES for 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine is Nc1cc(Br)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine?
The InChIKey is LADQSHQGIGZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N4/c14-7-4-9(18)8-6-19-21(10(8)5-7)12-3-1-2-11(20-12)13(15,16)17/h1-6H,18H2.
What are the key properties of 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine?
6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine has a molecular weight of 357.13 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-amine is sourced from PubChem (CID 162574457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).