5-nitrofuran-2-carboxylic acid;hydrochloride

C5H4ClNO5 — CID 67281310

IUPAC5-nitrofuran-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H3NO5.ClH/c7-5(8)3-1-2-4(11-3)6(9)10;/h1-2H,(H,7,8);1H
InChIKeyDBWARQJNIUKOHO-UHFFFAOYSA-N
MW193.54 g/mol
LogP1.31
Rot. Bonds2

About 5-nitrofuran-2-carboxylic acid;hydrochloride

5-nitrofuran-2-carboxylic acid;hydrochloride (PubChem CID 67281310) has the molecular formula C5H4ClNO5 and a molecular weight of 193.54 g/mol. Its IUPAC name is 5-nitrofuran-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-nitrofuran-2-carboxylic acid;hydrochloride
PubChem CID67281310
Molecular FormulaC5H4ClNO5
Molecular Weight193.54 g/mol
Exact Mass192.98
IUPAC Name5-nitrofuran-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H3NO5.ClH/c7-5(8)3-1-2-4(11-3)6(9)10;/h1-2H,(H,7,8);1H
InChIKeyDBWARQJNIUKOHO-UHFFFAOYSA-N
XLogP1.31
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.54
LogP ≤ 51.31
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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Related Compounds

bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
CID 10888748
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
2-methyl-2-[(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61261680
butan-2-yl 5-nitrofuran-2-carboxylate
CID 5176362
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638

Frequently Asked Questions

What is the IUPAC name of 5-nitrofuran-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-nitrofuran-2-carboxylic acid;hydrochloride (CID 67281310) is 5-nitrofuran-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-nitrofuran-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-nitrofuran-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitrofuran-2-carboxylic acid;hydrochloride?
The InChIKey is DBWARQJNIUKOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO5.ClH/c7-5(8)3-1-2-4(11-3)6(9)10;/h1-2H,(H,7,8);1H.
What are the key properties of 5-nitrofuran-2-carboxylic acid;hydrochloride?
5-nitrofuran-2-carboxylic acid;hydrochloride has a molecular weight of 193.54 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrofuran-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67281310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).