1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde

C9H6F3N3O — CID 165402979

IUPAC1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde
SMILESO=Cc1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)5-15-8-3-13-7(4-16)1-6(8)2-14-15/h1-4H,5H2
InChIKeyYPCZTCUJYCUIPG-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.81
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde

1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde (PubChem CID 165402979) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde
PubChem CID165402979
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde
SMILESO=Cc1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)5-15-8-3-13-7(4-16)1-6(8)2-14-15/h1-4H,5H2
InChIKeyYPCZTCUJYCUIPG-UHFFFAOYSA-N
XLogP1.81
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde (CID 165402979) is 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde is O=Cc1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde?
The InChIKey is YPCZTCUJYCUIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)5-15-8-3-13-7(4-16)1-6(8)2-14-15/h1-4H,5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde?
1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde has a molecular weight of 229.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 165402979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).