3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

C8H5FN2O2 — CID 123135182

IUPAC3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(F)c[nH]c2n1
InChIInChI=1S/C8H5FN2O2/c9-5-3-10-7-4(5)1-2-6(11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyAXAAJMOZXCKWEM-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds1

About 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (PubChem CID 123135182) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
PubChem CID123135182
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(F)c[nH]c2n1
InChIInChI=1S/C8H5FN2O2/c9-5-3-10-7-4(5)1-2-6(11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyAXAAJMOZXCKWEM-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (CID 123135182) is 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid is O=C(O)c1ccc2c(F)c[nH]c2n1.
What is the InChIKey of 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is AXAAJMOZXCKWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-5-3-10-7-4(5)1-2-6(11-7)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 123135182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).