disodium bis(5-chlorofuran-2-carboxylate)

C10H4Cl2Na2O6 — CID 159781926

IUPACdisodium bis(5-chlorofuran-2-carboxylate)
SMILESO=C([O-])c1ccc(Cl)o1.O=C([O-])c1ccc(Cl)o1.[Na+].[Na+]
InChIInChI=1S/2C5H3ClO3.2Na/c2*6-4-2-1-3(9-4)5(7)8;;/h2*1-2H,(H,7,8);;/q;;2*+1/p-2
InChIKeyMEADROJOGXVETD-UHFFFAOYSA-L
MW337.02 g/mol
LogP-5.40
Rot. Bonds2

About disodium bis(5-chlorofuran-2-carboxylate)

disodium bis(5-chlorofuran-2-carboxylate) (PubChem CID 159781926) has the molecular formula C10H4Cl2Na2O6 and a molecular weight of 337.02 g/mol. Its IUPAC name is disodium bis(5-chlorofuran-2-carboxylate).

Molecular Properties

Compound Namedisodium bis(5-chlorofuran-2-carboxylate)
PubChem CID159781926
Molecular FormulaC10H4Cl2Na2O6
Molecular Weight337.02 g/mol
Exact Mass335.92
IUPAC Namedisodium bis(5-chlorofuran-2-carboxylate)
SMILESO=C([O-])c1ccc(Cl)o1.O=C([O-])c1ccc(Cl)o1.[Na+].[Na+]
InChIInChI=1S/2C5H3ClO3.2Na/c2*6-4-2-1-3(9-4)5(7)8;;/h2*1-2H,(H,7,8);;/q;;2*+1/p-2
InChIKeyMEADROJOGXVETD-UHFFFAOYSA-L
XLogP-5.40
TPSA106.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.02
LogP ≤ 5-5.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze disodium bis(5-chlorofuran-2-carboxylate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromofuran-2-carboxylate
CID 4069229
5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
CID 7394546
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
potassium 5-methylfuran-2-carboxylate
CID 90487955
5-formylfuran-2-carboxylate
CID 7020643
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
1-(5-chlorofuran-2-yl)-4-iodobutan-1-one
CID 89131529
(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
CID 105478534

Frequently Asked Questions

What is the IUPAC name of disodium bis(5-chlorofuran-2-carboxylate)?
The IUPAC name of disodium bis(5-chlorofuran-2-carboxylate) (CID 159781926) is disodium bis(5-chlorofuran-2-carboxylate).
What is the SMILES notation for disodium bis(5-chlorofuran-2-carboxylate)?
The canonical SMILES for disodium bis(5-chlorofuran-2-carboxylate) is O=C([O-])c1ccc(Cl)o1.O=C([O-])c1ccc(Cl)o1.[Na+].[Na+].
What is the InChIKey of disodium bis(5-chlorofuran-2-carboxylate)?
The InChIKey is MEADROJOGXVETD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H3ClO3.2Na/c2*6-4-2-1-3(9-4)5(7)8;;/h2*1-2H,(H,7,8);;/q;;2*+1/p-2.
What are the key properties of disodium bis(5-chlorofuran-2-carboxylate)?
disodium bis(5-chlorofuran-2-carboxylate) has a molecular weight of 337.02 g/mol, XLogP of -5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(5-chlorofuran-2-carboxylate) is sourced from PubChem (CID 159781926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).