2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol

C13H8F3N3O — CID 136500855

IUPAC2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol
SMILESOc1cccnc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)7-4-8(9-6-18-19-10(9)5-7)12-11(20)2-1-3-17-12/h1-6,20H,(H,18,19)
InChIKeyOBLRUZQXQPDYFB-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.35
Rot. Bonds1

About 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol

2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol (PubChem CID 136500855) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol
PubChem CID136500855
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol
SMILESOc1cccnc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)7-4-8(9-6-18-19-10(9)5-7)12-11(20)2-1-3-17-12/h1-6,20H,(H,18,19)
InChIKeyOBLRUZQXQPDYFB-UHFFFAOYSA-N
XLogP3.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol?
The IUPAC name of 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol (CID 136500855) is 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol?
The canonical SMILES for 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol is Oc1cccnc1-c1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol?
The InChIKey is OBLRUZQXQPDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)7-4-8(9-6-18-19-10(9)5-7)12-11(20)2-1-3-17-12/h1-6,20H,(H,18,19).
What are the key properties of 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol?
2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol has a molecular weight of 279.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-3-ol is sourced from PubChem (CID 136500855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).