5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid

C13H10N2O4 — CID 104849557

IUPAC5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid
SMILESCOc1cc(C#N)ccc1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C13H10N2O4/c1-18-11-6-8(7-14)2-3-9(11)15-12-5-4-10(19-12)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKeyKIBSJDMYKGQGFJ-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.60
Rot. Bonds4

About 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid

5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid (PubChem CID 104849557) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid
PubChem CID104849557
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid
SMILESCOc1cc(C#N)ccc1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C13H10N2O4/c1-18-11-6-8(7-14)2-3-9(11)15-12-5-4-10(19-12)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKeyKIBSJDMYKGQGFJ-UHFFFAOYSA-N
XLogP2.60
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
CID 62204586
methyl 5-[(4-cyano-2-methoxyanilino)methyl]furan-2-carboxylate
CID 104848329
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 104848980
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
4-(4-cyano-2-methoxyanilino)pentanoic acid
CID 104848343
5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid
CID 114919958
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid (CID 104849557) is 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid is COc1cc(C#N)ccc1Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid?
The InChIKey is KIBSJDMYKGQGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-18-11-6-8(7-14)2-3-9(11)15-12-5-4-10(19-12)13(16)17/h2-6,15H,1H3,(H,16,17).
What are the key properties of 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid?
5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid is sourced from PubChem (CID 104849557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).