chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane

C7H9ClNO2PS — CID 54345380

IUPACchloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)Oc1cccnc1
InChIInChI=1S/C7H9ClNO2PS/c1-2-10-12(8,13)11-7-4-3-5-9-6-7/h3-6H,2H2,1H3
InChIKeyUBYMTFCRBBLCDF-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.96
Rot. Bonds4

About chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane

chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane (PubChem CID 54345380) has the molecular formula C7H9ClNO2PS and a molecular weight of 237.65 g/mol. Its IUPAC name is chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane
PubChem CID54345380
Molecular FormulaC7H9ClNO2PS
Molecular Weight237.65 g/mol
Exact Mass236.98
IUPAC Namechloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)Oc1cccnc1
InChIInChI=1S/C7H9ClNO2PS/c1-2-10-12(8,13)11-7-4-3-5-9-6-7/h3-6H,2H2,1H3
InChIKeyUBYMTFCRBBLCDF-UHFFFAOYSA-N
XLogP2.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-yl hypochlorite
CID 91164948
butane;pyridin-3-yl carbamate
CID 69137647
3-(2-diethoxyphosphorylethynyl)pyridine
CID 11107433
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740
2-methoxy-6-methylpyridine;3-methoxypyridine
CID 143842075
3-(2,4,4-trimethylpentan-2-yloxy)pyridine
CID 145496558
3-octadecoxypyridine
CID 175800212
methoxyethane;3-methylpyridine
CID 144662760
N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
CID 173058068
[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate
CID 75365836
ethane;2-methoxypyridine;3-methoxypyridine
CID 142284614
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958

Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane (CID 54345380) is chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane is CCOP(=S)(Cl)Oc1cccnc1.
What is the InChIKey of chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane?
The InChIKey is UBYMTFCRBBLCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClNO2PS/c1-2-10-12(8,13)11-7-4-3-5-9-6-7/h3-6H,2H2,1H3.
What are the key properties of chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane?
chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane has a molecular weight of 237.65 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54345380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).