2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine

C19H31Cl3NO3P — CID 44563661

IUPAC2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine
SMILESCCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
InChIKeyUYTVZWJJIVBXBW-UHFFFAOYSA-N
MW458.79 g/mol
LogP8.57
Rot. Bonds15

About 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine

2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine (PubChem CID 44563661) has the molecular formula C19H31Cl3NO3P and a molecular weight of 458.79 g/mol. Its IUPAC name is 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine
PubChem CID44563661
Molecular FormulaC19H31Cl3NO3P
Molecular Weight458.79 g/mol
Exact Mass457.11
IUPAC Name2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine
SMILESCCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
InChIKeyUYTVZWJJIVBXBW-UHFFFAOYSA-N
XLogP8.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine?
The IUPAC name of 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine (CID 44563661) is 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine.
What is the SMILES notation for 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine?
The canonical SMILES for 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine is CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine?
The InChIKey is UYTVZWJJIVBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3.
What are the key properties of 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine?
2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine has a molecular weight of 458.79 g/mol, XLogP of 8.57, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-[dodecyl(ethoxy)phosphoryl]oxypyridine is sourced from PubChem (CID 44563661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).