(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane

C6H5Br2FNOP — CID 155780437

IUPAC(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane
SMILESCOc1c(F)c(Br)nc(Br)c1P
InChIInChI=1S/C6H5Br2FNOP/c1-11-3-2(9)5(7)10-6(8)4(3)12/h12H2,1H3
InChIKeyBMQKIBUYUVBFLZ-UHFFFAOYSA-N
MW316.89 g/mol
LogP2.25
Rot. Bonds1

About (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane

(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane (PubChem CID 155780437) has the molecular formula C6H5Br2FNOP and a molecular weight of 316.89 g/mol. Its IUPAC name is (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane.

Molecular Properties

Compound Name(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane
PubChem CID155780437
Molecular FormulaC6H5Br2FNOP
Molecular Weight316.89 g/mol
Exact Mass314.85
IUPAC Name(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane
SMILESCOc1c(F)c(Br)nc(Br)c1P
InChIInChI=1S/C6H5Br2FNOP/c1-11-3-2(9)5(7)10-6(8)4(3)12/h12H2,1H3
InChIKeyBMQKIBUYUVBFLZ-UHFFFAOYSA-N
XLogP2.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.89
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane?
The IUPAC name of (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane (CID 155780437) is (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane.
What is the SMILES notation for (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane?
The canonical SMILES for (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane is COc1c(F)c(Br)nc(Br)c1P.
What is the InChIKey of (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane?
The InChIKey is BMQKIBUYUVBFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2FNOP/c1-11-3-2(9)5(7)10-6(8)4(3)12/h12H2,1H3.
What are the key properties of (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane?
(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane has a molecular weight of 316.89 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane is sourced from PubChem (CID 155780437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).