5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C12H11ClF3N3O — CID 165167290

IUPAC5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1nn(C2CCCCO2)c2ncc(Cl)cc12
InChIInChI=1S/C12H11ClF3N3O/c13-7-5-8-10(12(14,15)16)18-19(11(8)17-6-7)9-3-1-2-4-20-9/h5-6,9H,1-4H2
InChIKeyZLLIYGQEKVDKIV-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.80
Rot. Bonds1

About 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine

5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 165167290) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID165167290
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1nn(C2CCCCO2)c2ncc(Cl)cc12
InChIInChI=1S/C12H11ClF3N3O/c13-7-5-8-10(12(14,15)16)18-19(11(8)17-6-7)9-3-1-2-4-20-9/h5-6,9H,1-4H2
InChIKeyZLLIYGQEKVDKIV-UHFFFAOYSA-N
XLogP3.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 165167290) is 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1nn(C2CCCCO2)c2ncc(Cl)cc12.
What is the InChIKey of 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is ZLLIYGQEKVDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c13-7-5-8-10(12(14,15)16)18-19(11(8)17-6-7)9-3-1-2-4-20-9/h5-6,9H,1-4H2.
What are the key properties of 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 305.69 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 165167290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).