2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C13H11N3O3 — CID 112582740

IUPAC2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CCc3ccco3)[nH]c12
InChIInChI=1S/C13H11N3O3/c17-13(18)9-5-6-14-12-11(9)15-10(16-12)4-3-8-2-1-7-19-8/h1-2,5-7H,3-4H2,(H,17,18)(H,14,15,16)
InChIKeyTUEFVFXASWRAHZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.03
Rot. Bonds4

About 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 112582740) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID112582740
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CCc3ccco3)[nH]c12
InChIInChI=1S/C13H11N3O3/c17-13(18)9-5-6-14-12-11(9)15-10(16-12)4-3-8-2-1-7-19-8/h1-2,5-7H,3-4H2,(H,17,18)(H,14,15,16)
InChIKeyTUEFVFXASWRAHZ-UHFFFAOYSA-N
XLogP2.03
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 112582740) is 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(CCc3ccco3)[nH]c12.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is TUEFVFXASWRAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(18)9-5-6-14-12-11(9)15-10(16-12)4-3-8-2-1-7-19-8/h1-2,5-7H,3-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 112582740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).