1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol

C15H11F4N3O — CID 90252864

IUPAC1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(O)(c1cncc(-n2ncc3cc(F)ccc32)c1)C(F)(F)F
InChIInChI=1S/C15H11F4N3O/c1-14(23,15(17,18)19)10-5-12(8-20-7-10)22-13-3-2-11(16)4-9(13)6-21-22/h2-8,23H,1H3
InChIKeyAFXQEVIJSSUTLL-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.33
Rot. Bonds2

About 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol

1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 90252864) has the molecular formula C15H11F4N3O and a molecular weight of 325.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID90252864
Molecular FormulaC15H11F4N3O
Molecular Weight325.27 g/mol
Exact Mass325.08
IUPAC Name1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(O)(c1cncc(-n2ncc3cc(F)ccc32)c1)C(F)(F)F
InChIInChI=1S/C15H11F4N3O/c1-14(23,15(17,18)19)10-5-12(8-20-7-10)22-13-3-2-11(16)4-9(13)6-21-22/h2-8,23H,1H3
InChIKeyAFXQEVIJSSUTLL-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 90252864) is 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol is CC(O)(c1cncc(-n2ncc3cc(F)ccc32)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is AFXQEVIJSSUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O/c1-14(23,15(17,18)19)10-5-12(8-20-7-10)22-13-3-2-11(16)4-9(13)6-21-22/h2-8,23H,1H3.
What are the key properties of 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 325.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-(5-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).