2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid

C9H6N2O4 — CID 143555638

IUPAC2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid
SMILESO=Cc1[nH]cnc1-c1occc1C(=O)O
InChIInChI=1S/C9H6N2O4/c12-3-6-7(11-4-10-6)8-5(9(13)14)1-2-15-8/h1-4H,(H,10,11)(H,13,14)
InChIKeyJEAOKXSCHMYUCO-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.18
Rot. Bonds3

About 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid

2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid (PubChem CID 143555638) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid
PubChem CID143555638
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid
SMILESO=Cc1[nH]cnc1-c1occc1C(=O)O
InChIInChI=1S/C9H6N2O4/c12-3-6-7(11-4-10-6)8-5(9(13)14)1-2-15-8/h1-4H,(H,10,11)(H,13,14)
InChIKeyJEAOKXSCHMYUCO-UHFFFAOYSA-N
XLogP1.18
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)furan-3-carboxylic acid
CID 22177208
2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96624791
2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96613437
2-[10,15,20-tris(3-carboxyfuran-2-yl)-21,23-dihydroporphyrin-5-yl]furan-3-carboxylic acid
CID 135697201
2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
CID 82387630
4-(1H-imidazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 55279302
2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid
CID 82386613
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 174855873
2-(3-formylfuran-2-yl)-5-methylbenzoic acid
CID 89326378
1H-benzimidazole-4-carboxylic acid
CID 2771758
2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid
CID 141023875

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid (CID 143555638) is 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid is O=Cc1[nH]cnc1-c1occc1C(=O)O.
What is the InChIKey of 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid?
The InChIKey is JEAOKXSCHMYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-3-6-7(11-4-10-6)8-5(9(13)14)1-2-15-8/h1-4H,(H,10,11)(H,13,14).
What are the key properties of 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid?
2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 143555638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).