benzene-1,4-diamine;furan-2,5-dicarboxylic acid

C12H12N2O5 — CID 160946255

IUPACbenzene-1,4-diamine;furan-2,5-dicarboxylic acid
SMILESNc1ccc(N)cc1.O=C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C6H8N2.C6H4O5/c7-5-1-2-6(8)4-3-5;7-5(8)3-1-2-4(11-3)6(9)10/h1-4H,7-8H2;1-2H,(H,7,8)(H,9,10)
InChIKeySVDODTPDDNCXJK-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.53
Rot. Bonds2

About benzene-1,4-diamine;furan-2,5-dicarboxylic acid

benzene-1,4-diamine;furan-2,5-dicarboxylic acid (PubChem CID 160946255) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is benzene-1,4-diamine;furan-2,5-dicarboxylic acid.

Molecular Properties

Compound Namebenzene-1,4-diamine;furan-2,5-dicarboxylic acid
PubChem CID160946255
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Namebenzene-1,4-diamine;furan-2,5-dicarboxylic acid
SMILESNc1ccc(N)cc1.O=C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C6H8N2.C6H4O5/c7-5-1-2-6(8)4-3-5;7-5(8)3-1-2-4(11-3)6(9)10/h1-4H,7-8H2;1-2H,(H,7,8)(H,9,10)
InChIKeySVDODTPDDNCXJK-UHFFFAOYSA-N
XLogP1.53
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-diamine;furan-2,5-dicarboxylic acid
CID 175422690
furan-2,5-dicarboxylic acid;indigane
CID 174700126
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
CID 70189415
4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
CID 21188202
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
5-carboxyfuran-2-olate
CID 145013315
5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
CID 84720708
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;furan-2,5-dicarboxylic acid?
The IUPAC name of benzene-1,4-diamine;furan-2,5-dicarboxylic acid (CID 160946255) is benzene-1,4-diamine;furan-2,5-dicarboxylic acid.
What is the SMILES notation for benzene-1,4-diamine;furan-2,5-dicarboxylic acid?
The canonical SMILES for benzene-1,4-diamine;furan-2,5-dicarboxylic acid is Nc1ccc(N)cc1.O=C(O)c1ccc(C(=O)O)o1.
What is the InChIKey of benzene-1,4-diamine;furan-2,5-dicarboxylic acid?
The InChIKey is SVDODTPDDNCXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C6H4O5/c7-5-1-2-6(8)4-3-5;7-5(8)3-1-2-4(11-3)6(9)10/h1-4H,7-8H2;1-2H,(H,7,8)(H,9,10).
What are the key properties of benzene-1,4-diamine;furan-2,5-dicarboxylic acid?
benzene-1,4-diamine;furan-2,5-dicarboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;furan-2,5-dicarboxylic acid is sourced from PubChem (CID 160946255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).