ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine

C10H12F3N3O — CID 171503712

IUPACethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine
SMILESCC.Cc1[nH]nc2cnc(OC(F)(F)F)cc12
InChIInChI=1S/C8H6F3N3O.C2H6/c1-4-5-2-7(15-8(9,10)11)12-3-6(5)14-13-4;1-2/h2-3H,1H3,(H,13,14);1-2H3
InChIKeyAATQYJXGHJNKMD-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.19
Rot. Bonds1

About ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine

ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine (PubChem CID 171503712) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine
PubChem CID171503712
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Nameethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine
SMILESCC.Cc1[nH]nc2cnc(OC(F)(F)F)cc12
InChIInChI=1S/C8H6F3N3O.C2H6/c1-4-5-2-7(15-8(9,10)11)12-3-6(5)14-13-4;1-2/h2-3H,1H3,(H,13,14);1-2H3
InChIKeyAATQYJXGHJNKMD-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine (CID 171503712) is ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine is CC.Cc1[nH]nc2cnc(OC(F)(F)F)cc12.
What is the InChIKey of ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is AATQYJXGHJNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O.C2H6/c1-4-5-2-7(15-8(9,10)11)12-3-6(5)14-13-4;1-2/h2-3H,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine?
ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 247.22 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(trifluoromethoxy)-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 171503712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).