5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid

C13H11NO4 — CID 173162831

IUPAC5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
SMILESCN(C=O)c1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C13H11NO4/c1-14(8-15)10-4-2-9(3-5-10)11-6-7-12(18-11)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyRELXXTIRAZXHOL-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.24
Rot. Bonds4

About 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid

5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid (PubChem CID 173162831) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
PubChem CID173162831
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
SMILESCN(C=O)c1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C13H11NO4/c1-14(8-15)10-4-2-9(3-5-10)11-6-7-12(18-11)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyRELXXTIRAZXHOL-UHFFFAOYSA-N
XLogP2.24
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[4-(dimethylamino)phenyl]furan-2-yl]ethanone
CID 82541119
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
CID 152990404
5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
CID 68831033
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
CID 63423966
5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169454193
5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169464455
5-[4-(1,2,3-trihydroxypropyl)phenyl]furan-2-carboxylic acid
CID 170818849
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-[4-(3-cyanoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 170800668
5-(5-formylthiophen-3-yl)furan-2-carboxylic acid
CID 18801353

Frequently Asked Questions

What is the IUPAC name of 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid (CID 173162831) is 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid is CN(C=O)c1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid?
The InChIKey is RELXXTIRAZXHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-14(8-15)10-4-2-9(3-5-10)11-6-7-12(18-11)13(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid?
5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 173162831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).