2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol

C16H14F3N3O — CID 90252814

IUPAC2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2ncc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C16H14F3N3O/c1-15(2,23)12-6-13(9-20-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-21-22/h3-9,23H,1-2H3
InChIKeyQHEFMLSTXVFBKP-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.67
Rot. Bonds2

About 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol

2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 90252814) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
PubChem CID90252814
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2ncc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C16H14F3N3O/c1-15(2,23)12-6-13(9-20-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-21-22/h3-9,23H,1-2H3
InChIKeyQHEFMLSTXVFBKP-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol (CID 90252814) is 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-n2ncc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is QHEFMLSTXVFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-15(2,23)12-6-13(9-20-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-21-22/h3-9,23H,1-2H3.
What are the key properties of 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 321.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).