3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C12H8N2O3 — CID 11218431

IUPAC3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C12H8N2O3/c15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8/h1-6H,(H,13,14)(H,15,16)
InChIKeyMHMUWVXRNYMYEE-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.52
Rot. Bonds2

About 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 11218431) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID11218431
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C12H8N2O3/c15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8/h1-6H,(H,13,14)(H,15,16)
InChIKeyMHMUWVXRNYMYEE-UHFFFAOYSA-N
XLogP2.52
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 11218431) is 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is MHMUWVXRNYMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 11218431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).