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

C7H7Cl2FNO3PS — CID 54251852

IUPAC(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)Oc1nc(F)c(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2FNO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
InChIKeyQXIINBBXIZTOQO-UHFFFAOYSA-N
MW306.08 g/mol
LogP3.42
Rot. Bonds4

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

(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 54251852) has the molecular formula C7H7Cl2FNO3PS and a molecular weight of 306.08 g/mol. Its IUPAC name is (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID54251852
Molecular FormulaC7H7Cl2FNO3PS
Molecular Weight306.08 g/mol
Exact Mass304.92
IUPAC Name(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)Oc1nc(F)c(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2FNO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
InChIKeyQXIINBBXIZTOQO-UHFFFAOYSA-N
XLogP3.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane (CID 54251852) is (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane is COP(=S)(OC)Oc1nc(F)c(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is QXIINBBXIZTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FNO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3.
What are the key properties of (3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane?
(3,5-dichloro-6-fluoro-2-pyridinyl)oxy-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 306.08 g/mol, XLogP of 3.42, 4 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-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54251852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).