4-chloro-6-cyano-1-benzofuran-2-carboxylic acid

C10H4ClNO3 — CID 139957503

IUPAC4-chloro-6-cyano-1-benzofuran-2-carboxylic acid
SMILESN#Cc1cc(Cl)c2cc(C(=O)O)oc2c1
InChIInChI=1S/C10H4ClNO3/c11-7-1-5(4-12)2-8-6(7)3-9(15-8)10(13)14/h1-3H,(H,13,14)
InChIKeyXAQOIIMSWPGKPQ-UHFFFAOYSA-N
MW221.60 g/mol
LogP2.66
Rot. Bonds1

About 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid

4-chloro-6-cyano-1-benzofuran-2-carboxylic acid (PubChem CID 139957503) has the molecular formula C10H4ClNO3 and a molecular weight of 221.60 g/mol. Its IUPAC name is 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-cyano-1-benzofuran-2-carboxylic acid
PubChem CID139957503
Molecular FormulaC10H4ClNO3
Molecular Weight221.60 g/mol
Exact Mass220.99
IUPAC Name4-chloro-6-cyano-1-benzofuran-2-carboxylic acid
SMILESN#Cc1cc(Cl)c2cc(C(=O)O)oc2c1
InChIInChI=1S/C10H4ClNO3/c11-7-1-5(4-12)2-8-6(7)3-9(15-8)10(13)14/h1-3H,(H,13,14)
InChIKeyXAQOIIMSWPGKPQ-UHFFFAOYSA-N
XLogP2.66
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid (CID 139957503) is 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid is N#Cc1cc(Cl)c2cc(C(=O)O)oc2c1.
What is the InChIKey of 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid?
The InChIKey is XAQOIIMSWPGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClNO3/c11-7-1-5(4-12)2-8-6(7)3-9(15-8)10(13)14/h1-3H,(H,13,14).
What are the key properties of 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid?
4-chloro-6-cyano-1-benzofuran-2-carboxylic acid has a molecular weight of 221.60 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyano-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 139957503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).