(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane

C11H15Cl2FNO3PS — CID 54410512

IUPAC(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane
SMILESCCCOP(=S)(OCCC)Oc1nc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2FNO3PS/c1-3-5-16-19(20,17-6-4-2)18-11-9(13)7-8(12)10(14)15-11/h7H,3-6H2,1-2H3
InChIKeyVTUJVXIQZKXSSM-UHFFFAOYSA-N
MW362.19 g/mol
LogP4.98
Rot. Bonds8

About (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane

(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane (PubChem CID 54410512) has the molecular formula C11H15Cl2FNO3PS and a molecular weight of 362.19 g/mol. Its IUPAC name is (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane
PubChem CID54410512
Molecular FormulaC11H15Cl2FNO3PS
Molecular Weight362.19 g/mol
Exact Mass360.99
IUPAC Name(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane
SMILESCCCOP(=S)(OCCC)Oc1nc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2FNO3PS/c1-3-5-16-19(20,17-6-4-2)18-11-9(13)7-8(12)10(14)15-11/h7H,3-6H2,1-2H3
InChIKeyVTUJVXIQZKXSSM-UHFFFAOYSA-N
XLogP4.98
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Chlorpyrifos
CID 2730
Chlorpyrifos-methyl
CID 21803
Chlorpyrifos oxon
CID 21804
Fospirate
CID 21805
Sodium 3,5,6-trichloro-2-pyridinolate
CID 23662263
Ethyl 3,5,6-trichloropyridin-2-yl dodecylphosphonate
CID 44563661
Chlorpyrifos-d10
CID 16213399
O-Ethyl O-(3,5,6-trichloro-2-pyridinyl) hydrogen phosphorothioate
CID 181829
3,5-Dichloro-2-[2-(2-ethoxyethoxy)ethoxy]-6-fluoropyridine
CID 324245
O-(3,5,6-trichloro-2-pyridinyl) phosphorothioic acid
CID 17915276
O-Desethyl-O-methyl Chlorpyrifos
CID 76334247
Dichloron
CID 51191

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane (CID 54410512) is (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane is CCCOP(=S)(OCCC)Oc1nc(F)c(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane?
The InChIKey is VTUJVXIQZKXSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2FNO3PS/c1-3-5-16-19(20,17-6-4-2)18-11-9(13)7-8(12)10(14)15-11/h7H,3-6H2,1-2H3.
What are the key properties of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane?
(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane has a molecular weight of 362.19 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dipropoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54410512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).