[chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite

C8H10Cl2NO3P — CID 151093801

IUPAC[chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite
SMILESCN(CCl)OP(O)Oc1ccccc1Cl
InChIInChI=1S/C8H10Cl2NO3P/c1-11(6-9)14-15(12)13-8-5-3-2-4-7(8)10/h2-5,12H,6H2,1H3
InChIKeyVXYANLSTYWEUPQ-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.00
Rot. Bonds5

About [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite

[chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite (PubChem CID 151093801) has the molecular formula C8H10Cl2NO3P and a molecular weight of 270.05 g/mol. Its IUPAC name is [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite.

Molecular Properties

Compound Name[chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite
PubChem CID151093801
Molecular FormulaC8H10Cl2NO3P
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC Name[chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite
SMILESCN(CCl)OP(O)Oc1ccccc1Cl
InChIInChI=1S/C8H10Cl2NO3P/c1-11(6-9)14-15(12)13-8-5-3-2-4-7(8)10/h2-5,12H,6H2,1H3
InChIKeyVXYANLSTYWEUPQ-UHFFFAOYSA-N
XLogP3.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite?
The IUPAC name of [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite (CID 151093801) is [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite.
What is the SMILES notation for [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite?
The canonical SMILES for [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite is CN(CCl)OP(O)Oc1ccccc1Cl.
What is the InChIKey of [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite?
The InChIKey is VXYANLSTYWEUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2NO3P/c1-11(6-9)14-15(12)13-8-5-3-2-4-7(8)10/h2-5,12H,6H2,1H3.
What are the key properties of [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite?
[chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite has a molecular weight of 270.05 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(methyl)amino] (2-chlorophenyl) hydrogen phosphite is sourced from PubChem (CID 151093801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).