bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate

C25H25Cl2NO10P2 — CID 46237200

IUPACbis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate
SMILESCOP(=O)(OC)C(OC(=O)c1cccc(C(=O)OC(c2ccc(Cl)cc2)P(=O)(OC)OC)n1)c1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2NO10P2/c1-33-39(31,34-2)24(16-8-12-18(26)13-9-16)37-22(29)20-6-5-7-21(28-20)23(30)38-25(40(32,35-3)36-4)17-10-14-19(27)15-11-17/h5-15,24-25H,1-4H3
InChIKeyKIECFRPADULHOV-UHFFFAOYSA-N
MW632.33 g/mol
LogP7.07
Rot. Bonds12

About bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate

bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate (PubChem CID 46237200) has the molecular formula C25H25Cl2NO10P2 and a molecular weight of 632.33 g/mol. Its IUPAC name is bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate
PubChem CID46237200
Molecular FormulaC25H25Cl2NO10P2
Molecular Weight632.33 g/mol
Exact Mass631.03
IUPAC Namebis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate
SMILESCOP(=O)(OC)C(OC(=O)c1cccc(C(=O)OC(c2ccc(Cl)cc2)P(=O)(OC)OC)n1)c1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2NO10P2/c1-33-39(31,34-2)24(16-8-12-18(26)13-9-16)37-22(29)20-6-5-7-21(28-20)23(30)38-25(40(32,35-3)36-4)17-10-14-19(27)15-11-17/h5-15,24-25H,1-4H3
InChIKeyKIECFRPADULHOV-UHFFFAOYSA-N
XLogP7.07
TPSA136.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.33
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate 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-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
CID 99661934
[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
CID 76958127
[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
bis[(1S)-1-cyanoethyl] pyridine-2,6-dicarboxylate
CID 7979796
[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl] benzoate
CID 57380249
methyl 6-[(2-amino-5-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylate
CID 106903905
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 47325772
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
CID 10193691
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
CID 46939615

Frequently Asked Questions

What is the IUPAC name of bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate (CID 46237200) is bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate is COP(=O)(OC)C(OC(=O)c1cccc(C(=O)OC(c2ccc(Cl)cc2)P(=O)(OC)OC)n1)c1ccc(Cl)cc1.
What is the InChIKey of bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate?
The InChIKey is KIECFRPADULHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO10P2/c1-33-39(31,34-2)24(16-8-12-18(26)13-9-16)37-22(29)20-6-5-7-21(28-20)23(30)38-25(40(32,35-3)36-4)17-10-14-19(27)15-11-17/h5-15,24-25H,1-4H3.
What are the key properties of bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate?
bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate has a molecular weight of 632.33 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 46237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).