1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid

C9H8FN3O2 — CID 175576511

IUPAC1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2cnn(CCF)c2c1
InChIInChI=1S/C9H8FN3O2/c10-1-2-13-8-3-6(9(14)15)4-11-7(8)5-12-13/h3-5H,1-2H2,(H,14,15)
InChIKeyPIGDYDMRIVBCFK-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.10
Rot. Bonds3

About 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid

1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 175576511) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID175576511
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2cnn(CCF)c2c1
InChIInChI=1S/C9H8FN3O2/c10-1-2-13-8-3-6(9(14)15)4-11-7(8)5-12-13/h3-5H,1-2H2,(H,14,15)
InChIKeyPIGDYDMRIVBCFK-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid (CID 175576511) is 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2cnn(CCF)c2c1.
What is the InChIKey of 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is PIGDYDMRIVBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-1-2-13-8-3-6(9(14)15)4-11-7(8)5-12-13/h3-5H,1-2H2,(H,14,15).
What are the key properties of 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 175576511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).