(2,4,5-trichloroanilino)phosphonic acid

C6H5Cl3NO3P — CID 71424047

IUPAC(2,4,5-trichloroanilino)phosphonic acid
SMILESO=P(O)(O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H5Cl3NO3P/c7-3-1-5(9)6(2-4(3)8)10-14(11,12)13/h1-2H,(H3,10,11,12,13)
InChIKeyPYUQUYFSUXWXEH-UHFFFAOYSA-N
MW276.44 g/mol
LogP3.15
Rot. Bonds2

About (2,4,5-trichloroanilino)phosphonic acid

(2,4,5-trichloroanilino)phosphonic acid (PubChem CID 71424047) has the molecular formula C6H5Cl3NO3P and a molecular weight of 276.44 g/mol. Its IUPAC name is (2,4,5-trichloroanilino)phosphonic acid.

Molecular Properties

Compound Name(2,4,5-trichloroanilino)phosphonic acid
PubChem CID71424047
Molecular FormulaC6H5Cl3NO3P
Molecular Weight276.44 g/mol
Exact Mass274.91
IUPAC Name(2,4,5-trichloroanilino)phosphonic acid
SMILESO=P(O)(O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H5Cl3NO3P/c7-3-1-5(9)6(2-4(3)8)10-14(11,12)13/h1-2H,(H3,10,11,12,13)
InChIKeyPYUQUYFSUXWXEH-UHFFFAOYSA-N
XLogP3.15
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichloroanilino)phosphonic acid?
The IUPAC name of (2,4,5-trichloroanilino)phosphonic acid (CID 71424047) is (2,4,5-trichloroanilino)phosphonic acid.
What is the SMILES notation for (2,4,5-trichloroanilino)phosphonic acid?
The canonical SMILES for (2,4,5-trichloroanilino)phosphonic acid is O=P(O)(O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2,4,5-trichloroanilino)phosphonic acid?
The InChIKey is PYUQUYFSUXWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3NO3P/c7-3-1-5(9)6(2-4(3)8)10-14(11,12)13/h1-2H,(H3,10,11,12,13).
What are the key properties of (2,4,5-trichloroanilino)phosphonic acid?
(2,4,5-trichloroanilino)phosphonic acid has a molecular weight of 276.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trichloroanilino)phosphonic acid is sourced from PubChem (CID 71424047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).