7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine

C8H6F3N3O — CID 172608794

IUPAC7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine
SMILESCOc1ncc(C(F)(F)F)c2cn[nH]c12
InChIInChI=1S/C8H6F3N3O/c1-15-7-6-4(2-13-14-6)5(3-12-7)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyZTDHIHWKYZTVMW-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.99
Rot. Bonds1

About 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine

7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine (PubChem CID 172608794) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine
PubChem CID172608794
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine
SMILESCOc1ncc(C(F)(F)F)c2cn[nH]c12
InChIInChI=1S/C8H6F3N3O/c1-15-7-6-4(2-13-14-6)5(3-12-7)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyZTDHIHWKYZTVMW-UHFFFAOYSA-N
XLogP1.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine (CID 172608794) is 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine is COc1ncc(C(F)(F)F)c2cn[nH]c12.
What is the InChIKey of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine?
The InChIKey is ZTDHIHWKYZTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-15-7-6-4(2-13-14-6)5(3-12-7)8(9,10)11/h2-3H,1H3,(H,13,14).
What are the key properties of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine?
7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 217.15 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 172608794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).