2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C13H8ClNO3 — CID 12527112

IUPAC2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2oc(-c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)
InChIKeyQDCKIJCFTKFENH-UHFFFAOYSA-N
MW261.66 g/mol
LogP3.78
Rot. Bonds2

About 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 12527112) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID12527112
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2oc(-c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)
InChIKeyQDCKIJCFTKFENH-UHFFFAOYSA-N
XLogP3.78
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 12527112) is 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2oc(-c3ccc(Cl)cc3)cc2[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is QDCKIJCFTKFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 261.66 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 12527112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).