1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol

C9H8F3N3O — CID 171503602

IUPAC1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol
SMILESCC(O)c1nc(C(F)(F)F)cc2cn[nH]c12
InChIInChI=1S/C9H8F3N3O/c1-4(16)7-8-5(3-13-15-8)2-6(14-7)9(10,11)12/h2-4,16H,1H3,(H,13,15)
InChIKeyVHQLODNSXREJOW-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.03
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol

1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol (PubChem CID 171503602) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol
PubChem CID171503602
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol
SMILESCC(O)c1nc(C(F)(F)F)cc2cn[nH]c12
InChIInChI=1S/C9H8F3N3O/c1-4(16)7-8-5(3-13-15-8)2-6(14-7)9(10,11)12/h2-4,16H,1H3,(H,13,15)
InChIKeyVHQLODNSXREJOW-UHFFFAOYSA-N
XLogP2.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol (CID 171503602) is 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol is CC(O)c1nc(C(F)(F)F)cc2cn[nH]c12.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?
The InChIKey is VHQLODNSXREJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-4(16)7-8-5(3-13-15-8)2-6(14-7)9(10,11)12/h2-4,16H,1H3,(H,13,15).
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?
1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol has a molecular weight of 231.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol is sourced from PubChem (CID 171503602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).