5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid

C12H9NO6 — CID 960532

IUPAC5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C12H9NO6/c1-18-11-6-7(13(16)17)2-3-8(11)9-4-5-10(19-9)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyFIEKDWHVHPVEIG-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.56
Rot. Bonds4

About 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid

5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid (PubChem CID 960532) has the molecular formula C12H9NO6 and a molecular weight of 263.21 g/mol. Its IUPAC name is 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
PubChem CID960532
Molecular FormulaC12H9NO6
Molecular Weight263.21 g/mol
Exact Mass263.04
IUPAC Name5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C12H9NO6/c1-18-11-6-7(13(16)17)2-3-8(11)9-4-5-10(19-9)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyFIEKDWHVHPVEIG-UHFFFAOYSA-N
XLogP2.56
TPSA102.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-(2-methoxy-4-nitrophenyl)-N,N-dimethylfuran-2-carbothioamide
CID 51983792
2-bromo-5-(2-methoxy-4-nitrophenyl)furan
CID 134092642
1-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]propan-2-one
CID 63086137
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
CID 960728
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 70941535
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
2-hydroxy-5-[2-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 50885197
5-(2-methoxy-4-nitrophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104784413

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid (CID 960532) is 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid is COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid?
The InChIKey is FIEKDWHVHPVEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6/c1-18-11-6-7(13(16)17)2-3-8(11)9-4-5-10(19-9)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid?
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 960532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).