3-(4-nitrophenyl)furan-2-carboxylic acid

C11H7NO5 — CID 67253142

IUPAC3-(4-nitrophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H7NO5/c13-11(14)10-9(5-6-17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)
InChIKeyOJDZWTFZIDPIEC-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.55
Rot. Bonds3

About 3-(4-nitrophenyl)furan-2-carboxylic acid

3-(4-nitrophenyl)furan-2-carboxylic acid (PubChem CID 67253142) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 3-(4-nitrophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-nitrophenyl)furan-2-carboxylic acid
PubChem CID67253142
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name3-(4-nitrophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H7NO5/c13-11(14)10-9(5-6-17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)
InChIKeyOJDZWTFZIDPIEC-UHFFFAOYSA-N
XLogP2.55
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.55
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

3-(4-fluorophenyl)furan-2-carboxylic acid
CID 19874616
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid
CID 167878798
2-[(3-methylfuran-2-carbonyl)amino]-5-nitrobenzoic acid
CID 16775849
cesium;hydride;4-nitrobenzoic acid
CID 174438488
4-(2,4-dinitrophenyl)benzoic acid
CID 57346496
[2-(4-nitrophenyl)phenyl] hydrogen carbonate
CID 54291059
2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
2-(4-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 10612945
4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453
4-nitrobenzenesulfonic acid
CID 160847002

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)furan-2-carboxylic acid?
The IUPAC name of 3-(4-nitrophenyl)furan-2-carboxylic acid (CID 67253142) is 3-(4-nitrophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(4-nitrophenyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(4-nitrophenyl)furan-2-carboxylic acid is O=C(O)c1occc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)furan-2-carboxylic acid?
The InChIKey is OJDZWTFZIDPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-11(14)10-9(5-6-17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14).
What are the key properties of 3-(4-nitrophenyl)furan-2-carboxylic acid?
3-(4-nitrophenyl)furan-2-carboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 67253142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).