4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine

C9H8F3N3O — CID 118433583

IUPAC4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine
SMILESCc1ncc(OCC(F)(F)F)c2[nH]ncc12
InChIInChI=1S/C9H8F3N3O/c1-5-6-2-14-15-8(6)7(3-13-5)16-4-9(10,11)12/h2-3H,4H2,1H3,(H,14,15)
InChIKeyODEYYYQOHOZQPH-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.21
Rot. Bonds2

About 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine

4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine (PubChem CID 118433583) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine
PubChem CID118433583
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine
SMILESCc1ncc(OCC(F)(F)F)c2[nH]ncc12
InChIInChI=1S/C9H8F3N3O/c1-5-6-2-14-15-8(6)7(3-13-5)16-4-9(10,11)12/h2-3H,4H2,1H3,(H,14,15)
InChIKeyODEYYYQOHOZQPH-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine (CID 118433583) is 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine is Cc1ncc(OCC(F)(F)F)c2[nH]ncc12.
What is the InChIKey of 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is ODEYYYQOHOZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-5-6-2-14-15-8(6)7(3-13-5)16-4-9(10,11)12/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine?
4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 231.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118433583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).