3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid

C15H10FN3O2 — CID 59797192

IUPAC3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1
InChIInChI=1S/C15H10FN3O2/c16-10-3-1-2-9(8-10)4-5-11-14-12(19-18-11)6-7-13(17-14)15(20)21/h1-8H,(H,18,19)(H,20,21)/b5-4+
InChIKeyBTBXNKREPHINKB-SNAWJCMRSA-N
MW283.26 g/mol
LogP2.97
Rot. Bonds3

About 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid

3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid (PubChem CID 59797192) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
PubChem CID59797192
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1
InChIInChI=1S/C15H10FN3O2/c16-10-3-1-2-9(8-10)4-5-11-14-12(19-18-11)6-7-13(17-14)15(20)21/h1-8H,(H,18,19)(H,20,21)/b5-4+
InChIKeyBTBXNKREPHINKB-SNAWJCMRSA-N
XLogP2.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid (CID 59797192) is 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2n1.
What is the InChIKey of 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid?
The InChIKey is BTBXNKREPHINKB-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-10-3-1-2-9(8-10)4-5-11-14-12(19-18-11)6-7-13(17-14)15(20)21/h1-8H,(H,18,19)(H,20,21)/b5-4+.
What are the key properties of 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid?
3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 59797192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).