5-chlorofuran-3-carboxylic acid

C5H3ClO3 — CID 18938115

IUPAC5-chlorofuran-3-carboxylic acid
SMILESO=C(O)c1coc(Cl)c1
InChIInChI=1S/C5H3ClO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKeyQGFIXCKXSHFBJX-UHFFFAOYSA-N
MW146.53 g/mol
LogP1.63
Rot. Bonds1

About 5-chlorofuran-3-carboxylic acid

5-chlorofuran-3-carboxylic acid (PubChem CID 18938115) has the molecular formula C5H3ClO3 and a molecular weight of 146.53 g/mol. Its IUPAC name is 5-chlorofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-chlorofuran-3-carboxylic acid
PubChem CID18938115
Molecular FormulaC5H3ClO3
Molecular Weight146.53 g/mol
Exact Mass145.98
IUPAC Name5-chlorofuran-3-carboxylic acid
SMILESO=C(O)c1coc(Cl)c1
InChIInChI=1S/C5H3ClO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKeyQGFIXCKXSHFBJX-UHFFFAOYSA-N
XLogP1.63
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chlorofuran-3-carboxylic acid?
The IUPAC name of 5-chlorofuran-3-carboxylic acid (CID 18938115) is 5-chlorofuran-3-carboxylic acid.
What is the SMILES notation for 5-chlorofuran-3-carboxylic acid?
The canonical SMILES for 5-chlorofuran-3-carboxylic acid is O=C(O)c1coc(Cl)c1.
What is the InChIKey of 5-chlorofuran-3-carboxylic acid?
The InChIKey is QGFIXCKXSHFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8).
What are the key properties of 5-chlorofuran-3-carboxylic acid?
5-chlorofuran-3-carboxylic acid has a molecular weight of 146.53 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorofuran-3-carboxylic acid is sourced from PubChem (CID 18938115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).