5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine

C15H17ClNO4P — CID 166076238

IUPAC5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine
SMILESCCOP(=O)(Cc1cccc(Oc2ccc(Cl)cn2)c1)OC
InChIInChI=1S/C15H17ClNO4P/c1-3-20-22(18,19-2)11-12-5-4-6-14(9-12)21-15-8-7-13(16)10-17-15/h4-10H,3,11H2,1-2H3
InChIKeyCCUUWBWSSUNZQK-UHFFFAOYSA-N
MW341.73 g/mol
LogP4.90
Rot. Bonds7

About 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine

5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine (PubChem CID 166076238) has the molecular formula C15H17ClNO4P and a molecular weight of 341.73 g/mol. Its IUPAC name is 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine
PubChem CID166076238
Molecular FormulaC15H17ClNO4P
Molecular Weight341.73 g/mol
Exact Mass341.06
IUPAC Name5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine
SMILESCCOP(=O)(Cc1cccc(Oc2ccc(Cl)cn2)c1)OC
InChIInChI=1S/C15H17ClNO4P/c1-3-20-22(18,19-2)11-12-5-4-6-14(9-12)21-15-8-7-13(16)10-17-15/h4-10H,3,11H2,1-2H3
InChIKeyCCUUWBWSSUNZQK-UHFFFAOYSA-N
XLogP4.90
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine 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-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine
CID 86623900
2-(3-ethylphenoxy)-5-methylpyridine
CID 135224750
3-[(5-chloro-2-pyridinyl)oxy]aniline
CID 43364009
5-chloro-2-(3-fluorophenoxy)pyridine
CID 66233204
5-chloro-2-[3-[ethoxy(methyl)phosphoryl]-4-nitrophenoxy]pyridine
CID 54506721
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
2-[3-bromo-5-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-[3-bromo-5-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 162114595
diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 86623917
5-chloro-2-ethoxypyridine
CID 4738274
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
CID 107087158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine?
The IUPAC name of 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine (CID 166076238) is 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine?
The canonical SMILES for 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine is CCOP(=O)(Cc1cccc(Oc2ccc(Cl)cn2)c1)OC.
What is the InChIKey of 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine?
The InChIKey is CCUUWBWSSUNZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClNO4P/c1-3-20-22(18,19-2)11-12-5-4-6-14(9-12)21-15-8-7-13(16)10-17-15/h4-10H,3,11H2,1-2H3.
What are the key properties of 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine?
5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine has a molecular weight of 341.73 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine is sourced from PubChem (CID 166076238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).