2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C7H4ClNO3 — CID 22556501

IUPAC2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2oc(Cl)cc2[nH]1
InChIInChI=1S/C7H4ClNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKeyAFEBFEJAYWJLIR-UHFFFAOYSA-N
MW185.57 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 22556501) has the molecular formula C7H4ClNO3 and a molecular weight of 185.57 g/mol. Its IUPAC name is 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID22556501
Molecular FormulaC7H4ClNO3
Molecular Weight185.57 g/mol
Exact Mass184.99
IUPAC Name2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2oc(Cl)cc2[nH]1
InChIInChI=1S/C7H4ClNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKeyAFEBFEJAYWJLIR-UHFFFAOYSA-N
XLogP2.11
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 22556501) is 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2oc(Cl)cc2[nH]1.
What is the InChIKey of 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is AFEBFEJAYWJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11).
What are the key properties of 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 185.57 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 22556501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).