(E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine

C13H13N2O3PS — CID 88719936

IUPAC(E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine
SMILESCO/N=C(/c1ccccn1)c1ccccc1P(O)(O)=S
InChIInChI=1S/C13H13N2O3PS/c1-18-15-13(11-7-4-5-9-14-11)10-6-2-3-8-12(10)19(16,17)20/h2-9H,1H3,(H2,16,17,20)/b15-13+
InChIKeyTWGWFFCFKOVEKL-FYWRMAATSA-N
MW308.30 g/mol
LogP1.40
Rot. Bonds4

About (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine

(E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine (PubChem CID 88719936) has the molecular formula C13H13N2O3PS and a molecular weight of 308.30 g/mol. Its IUPAC name is (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine
PubChem CID88719936
Molecular FormulaC13H13N2O3PS
Molecular Weight308.30 g/mol
Exact Mass308.04
IUPAC Name(E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine
SMILESCO/N=C(/c1ccccn1)c1ccccc1P(O)(O)=S
InChIInChI=1S/C13H13N2O3PS/c1-18-15-13(11-7-4-5-9-14-11)10-6-2-3-8-12(10)19(16,17)20/h2-9H,1H3,(H2,16,17,20)/b15-13+
InChIKeyTWGWFFCFKOVEKL-FYWRMAATSA-N
XLogP1.40
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1,1-dipyridin-2-ylmethanimine
CID 59833599
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
2-(N-propan-2-yl-C-pyridin-2-ylcarbonimidoyl)phenol
CID 135930307
1-pyridin-2-ylethanethione
CID 89010255
N'-trimethylsilyloxypyridine-2-carboximidamide
CID 91699371
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
3-(dipyridin-2-ylmethylideneamino)-1-methyl-1-propan-2-ylthiourea
CID 145284856
4-hydroxy-3-[N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]benzonitrile
CID 154041601
N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 137247686

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine?
The IUPAC name of (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine (CID 88719936) is (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine.
What is the SMILES notation for (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine?
The canonical SMILES for (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine is CO/N=C(/c1ccccn1)c1ccccc1P(O)(O)=S.
What is the InChIKey of (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine?
The InChIKey is TWGWFFCFKOVEKL-FYWRMAATSA-N. The full InChI is InChI=1S/C13H13N2O3PS/c1-18-15-13(11-7-4-5-9-14-11)10-6-2-3-8-12(10)19(16,17)20/h2-9H,1H3,(H2,16,17,20)/b15-13+.
What are the key properties of (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine?
(E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine has a molecular weight of 308.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-dihydroxyphosphinothioylphenyl)-N-methoxy-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 88719936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).