5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine

C16H19Cl2N2O3P — CID 12643259

IUPAC5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19Cl2N2O3P/c1-3-22-24(21,23-4-2)16(12-5-7-13(17)8-6-12)20-15-10-9-14(18)11-19-15/h5-11,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyKJIMRSVQGCWBAS-UHFFFAOYSA-N
MW389.22 g/mol
LogP5.77
Rot. Bonds8

About 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine

5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine (PubChem CID 12643259) has the molecular formula C16H19Cl2N2O3P and a molecular weight of 389.22 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine
PubChem CID12643259
Molecular FormulaC16H19Cl2N2O3P
Molecular Weight389.22 g/mol
Exact Mass388.05
IUPAC Name5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19Cl2N2O3P/c1-3-22-24(21,23-4-2)16(12-5-7-13(17)8-6-12)20-15-10-9-14(18)11-19-15/h5-11,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyKJIMRSVQGCWBAS-UHFFFAOYSA-N
XLogP5.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.22
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine (CID 12643259) is 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine is CCOP(=O)(OCC)C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine?
The InChIKey is KJIMRSVQGCWBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N2O3P/c1-3-22-24(21,23-4-2)16(12-5-7-13(17)8-6-12)20-15-10-9-14(18)11-19-15/h5-11,16H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine?
5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine has a molecular weight of 389.22 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine is sourced from PubChem (CID 12643259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).