disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate

C28H22N2Na2O6 — CID 102458016

IUPACdisodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate
SMILESO=C([O-])Cc1ccccc1OCc1cccc(-c2cccc(COc3ccccc3CC(=O)[O-])n2)n1.[Na+].[Na+]
InChIInChI=1S/C28H24N2O6.2Na/c31-27(32)15-19-7-1-3-13-25(19)35-17-21-9-5-11-23(29-21)24-12-6-10-22(30-24)18-36-26-14-4-2-8-20(26)16-28(33)34;;/h1-14H,15-18H2,(H,31,32)(H,33,34);;/q;2*+1/p-2
InChIKeyXGVCJFYALYSTFL-UHFFFAOYSA-L
MW528.47 g/mol
LogP-4.11
Rot. Bonds11

About disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate

disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate (PubChem CID 102458016) has the molecular formula C28H22N2Na2O6 and a molecular weight of 528.47 g/mol. Its IUPAC name is disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate.

Molecular Properties

Compound Namedisodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate
PubChem CID102458016
Molecular FormulaC28H22N2Na2O6
Molecular Weight528.47 g/mol
Exact Mass528.13
IUPAC Namedisodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate
SMILESO=C([O-])Cc1ccccc1OCc1cccc(-c2cccc(COc3ccccc3CC(=O)[O-])n2)n1.[Na+].[Na+]
InChIInChI=1S/C28H24N2O6.2Na/c31-27(32)15-19-7-1-3-13-25(19)35-17-21-9-5-11-23(29-21)24-12-6-10-22(30-24)18-36-26-14-4-2-8-20(26)16-28(33)34;;/h1-14H,15-18H2,(H,31,32)(H,33,34);;/q;2*+1/p-2
InChIKeyXGVCJFYALYSTFL-UHFFFAOYSA-L
XLogP-4.11
TPSA124.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.47
LogP ≤ 5-4.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate 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

2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
6-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbohydrazide
CID 107714185
2-[2-[(6-hydrazinyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107714111
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
sodium;2-[[6-[(2-hydroxyphenoxy)methyl]-2-pyridinyl]methoxy]phenol;isothiocyanate
CID 139197916
1-[2-[(6-chloro-2-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484556
N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908299
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate?
The IUPAC name of disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate (CID 102458016) is disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate.
What is the SMILES notation for disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate?
The canonical SMILES for disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate is O=C([O-])Cc1ccccc1OCc1cccc(-c2cccc(COc3ccccc3CC(=O)[O-])n2)n1.[Na+].[Na+].
What is the InChIKey of disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate?
The InChIKey is XGVCJFYALYSTFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H24N2O6.2Na/c31-27(32)15-19-7-1-3-13-25(19)35-17-21-9-5-11-23(29-21)24-12-6-10-22(30-24)18-36-26-14-4-2-8-20(26)16-28(33)34;;/h1-14H,15-18H2,(H,31,32)(H,33,34);;/q;2*+1/p-2.
What are the key properties of disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate?
disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate has a molecular weight of 528.47 g/mol, XLogP of -4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate is sourced from PubChem (CID 102458016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).