2-chloro-5-nitrofuran-3-carboxylic acid

C5H2ClNO5 — CID 83818108

IUPAC2-chloro-5-nitrofuran-3-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])oc1Cl
InChIInChI=1S/C5H2ClNO5/c6-4-2(5(8)9)1-3(12-4)7(10)11/h1H,(H,8,9)
InChIKeyRBWHFQUBKTYIIC-UHFFFAOYSA-N
MW191.53 g/mol
LogP1.54
Rot. Bonds2

About 2-chloro-5-nitrofuran-3-carboxylic acid

2-chloro-5-nitrofuran-3-carboxylic acid (PubChem CID 83818108) has the molecular formula C5H2ClNO5 and a molecular weight of 191.53 g/mol. Its IUPAC name is 2-chloro-5-nitrofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-nitrofuran-3-carboxylic acid
PubChem CID83818108
Molecular FormulaC5H2ClNO5
Molecular Weight191.53 g/mol
Exact Mass190.96
IUPAC Name2-chloro-5-nitrofuran-3-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])oc1Cl
InChIInChI=1S/C5H2ClNO5/c6-4-2(5(8)9)1-3(12-4)7(10)11/h1H,(H,8,9)
InChIKeyRBWHFQUBKTYIIC-UHFFFAOYSA-N
XLogP1.54
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.53
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitrofuran-3-carboxylic acid?
The IUPAC name of 2-chloro-5-nitrofuran-3-carboxylic acid (CID 83818108) is 2-chloro-5-nitrofuran-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-nitrofuran-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-nitrofuran-3-carboxylic acid is O=C(O)c1cc([N+](=O)[O-])oc1Cl.
What is the InChIKey of 2-chloro-5-nitrofuran-3-carboxylic acid?
The InChIKey is RBWHFQUBKTYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClNO5/c6-4-2(5(8)9)1-3(12-4)7(10)11/h1H,(H,8,9).
What are the key properties of 2-chloro-5-nitrofuran-3-carboxylic acid?
2-chloro-5-nitrofuran-3-carboxylic acid has a molecular weight of 191.53 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitrofuran-3-carboxylic acid is sourced from PubChem (CID 83818108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).