6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine

C13H7F5N4 — CID 167350811

IUPAC6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine
SMILESNc1ccc(-c2n[nH]c3cc(F)c(F)cc23)nc1C(F)(F)F
InChIInChI=1S/C13H7F5N4/c14-6-3-5-10(4-7(6)15)21-22-11(5)9-2-1-8(19)12(20-9)13(16,17)18/h1-4H,19H2,(H,21,22)
InChIKeyHXYGYFLWXMRROW-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.50
Rot. Bonds1

About 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine

6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 167350811) has the molecular formula C13H7F5N4 and a molecular weight of 314.22 g/mol. Its IUPAC name is 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine
PubChem CID167350811
Molecular FormulaC13H7F5N4
Molecular Weight314.22 g/mol
Exact Mass314.06
IUPAC Name6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine
SMILESNc1ccc(-c2n[nH]c3cc(F)c(F)cc23)nc1C(F)(F)F
InChIInChI=1S/C13H7F5N4/c14-6-3-5-10(4-7(6)15)21-22-11(5)9-2-1-8(19)12(20-9)13(16,17)18/h1-4H,19H2,(H,21,22)
InChIKeyHXYGYFLWXMRROW-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine (CID 167350811) is 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine is Nc1ccc(-c2n[nH]c3cc(F)c(F)cc23)nc1C(F)(F)F.
What is the InChIKey of 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is HXYGYFLWXMRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N4/c14-6-3-5-10(4-7(6)15)21-22-11(5)9-2-1-8(19)12(20-9)13(16,17)18/h1-4H,19H2,(H,21,22).
What are the key properties of 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine?
6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 314.22 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 167350811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).