4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)

C36H23EuN2O16 — CID 172808567

IUPAC4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)
SMILESO=C(O)COc1cc(C#Cc2ccnc(C(=O)O)c2)cc(OCC(=O)O)c1.O=C([O-])COc1cc(C#Cc2ccnc(C(=O)[O-])c2)cc(OCC(=O)[O-])c1.[Eu+3]
InChIInChI=1S/2C18H13NO8.Eu/c2*20-16(21)9-26-13-5-12(6-14(8-13)27-10-17(22)23)2-1-11-3-4-19-15(7-11)18(24)25;/h2*3-8H,9-10H2,(H,20,21)(H,22,23)(H,24,25);/q;;+3/p-3
InChIKeyRVUMEPXAJJIIJQ-UHFFFAOYSA-K
MW891.54 g/mol
LogP-1.79
Rot. Bonds14

About 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)

4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+) (PubChem CID 172808567) has the molecular formula C36H23EuN2O16 and a molecular weight of 891.54 g/mol. Its IUPAC name is 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+).

Molecular Properties

Compound Name4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)
PubChem CID172808567
Molecular FormulaC36H23EuN2O16
Molecular Weight891.54 g/mol
Exact Mass892.03
IUPAC Name4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)
SMILESO=C(O)COc1cc(C#Cc2ccnc(C(=O)O)c2)cc(OCC(=O)O)c1.O=C([O-])COc1cc(C#Cc2ccnc(C(=O)[O-])c2)cc(OCC(=O)[O-])c1.[Eu+3]
InChIInChI=1S/2C18H13NO8.Eu/c2*20-16(21)9-26-13-5-12(6-14(8-13)27-10-17(22)23)2-1-11-3-4-19-15(7-11)18(24)25;/h2*3-8H,9-10H2,(H,20,21)(H,22,23)(H,24,25);/q;;+3/p-3
InChIKeyRVUMEPXAJJIIJQ-UHFFFAOYSA-K
XLogP-1.79
TPSA294.99 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.54
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+) 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

tris(4-[2-[2,4-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylate);europium(3+)
CID 162054318
4-[2-[4-(carboxymethoxy)phenyl]ethynyl]pyridine-2,6-dicarboxylic acid
CID 22450855
4-[4-(methylamino)but-1-ynyl]pyridine-2-carboxylic acid
CID 170464379
4-[2-(7-methyl-2,1,3-benzothiadiazol-4-yl)ethynyl]pyridine-2-carboxylic acid
CID 118642145
4-(3,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223777
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
2-(3-phenoxyphenoxy)acetate
CID 22411603
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796
2-quinoxalin-6-yloxyacetate
CID 3520024
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
2-phenoxyacetic acid;titanium
CID 174896747
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)?
The IUPAC name of 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+) (CID 172808567) is 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+).
What is the SMILES notation for 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)?
The canonical SMILES for 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+) is O=C(O)COc1cc(C#Cc2ccnc(C(=O)O)c2)cc(OCC(=O)O)c1.O=C([O-])COc1cc(C#Cc2ccnc(C(=O)[O-])c2)cc(OCC(=O)[O-])c1.[Eu+3].
What is the InChIKey of 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)?
The InChIKey is RVUMEPXAJJIIJQ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C18H13NO8.Eu/c2*20-16(21)9-26-13-5-12(6-14(8-13)27-10-17(22)23)2-1-11-3-4-19-15(7-11)18(24)25;/h2*3-8H,9-10H2,(H,20,21)(H,22,23)(H,24,25);/q;;+3/p-3.
What are the key properties of 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+)?
4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+) has a molecular weight of 891.54 g/mol, XLogP of -1.79, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(carboxylatomethoxy)phenyl]ethynyl]pyridine-2-carboxylate;4-[2-[3,5-bis(carboxymethoxy)phenyl]ethynyl]pyridine-2-carboxylic acid;europium(3+) is sourced from PubChem (CID 172808567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).