ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine

C11H14F3N3O — CID 172608541

IUPACethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
SMILESCC.COc1ncc(C(F)(F)F)c2c(C)[nH]nc12
InChIInChI=1S/C9H8F3N3O.C2H6/c1-4-6-5(9(10,11)12)3-13-8(16-2)7(6)15-14-4;1-2/h3H,1-2H3,(H,14,15);1-2H3
InChIKeyADFQEFLGMLSQOY-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.32
Rot. Bonds1

About ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine

ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine (PubChem CID 172608541) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Nameethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
PubChem CID172608541
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Nameethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
SMILESCC.COc1ncc(C(F)(F)F)c2c(C)[nH]nc12
InChIInChI=1S/C9H8F3N3O.C2H6/c1-4-6-5(9(10,11)12)3-13-8(16-2)7(6)15-14-4;1-2/h3H,1-2H3,(H,14,15);1-2H3
InChIKeyADFQEFLGMLSQOY-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine (CID 172608541) is ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine is CC.COc1ncc(C(F)(F)F)c2c(C)[nH]nc12.
What is the InChIKey of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is ADFQEFLGMLSQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O.C2H6/c1-4-6-5(9(10,11)12)3-13-8(16-2)7(6)15-14-4;1-2/h3H,1-2H3,(H,14,15);1-2H3.
What are the key properties of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine?
ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 261.25 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 172608541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).