2,4,6-tribromo-3-methylphosphinine

C6H4Br3P — CID 11024459

IUPAC2,4,6-tribromo-3-methylphosphinine
SMILESCc1c(Br)cc(Br)pc1Br
InChIInChI=1S/C6H4Br3P/c1-3-4(7)2-5(8)10-6(3)9/h2H,1H3
InChIKeyNWBXCZGIZDILAJ-UHFFFAOYSA-N
MW346.78 g/mol
LogP4.86
Rot. Bonds

About 2,4,6-tribromo-3-methylphosphinine

2,4,6-tribromo-3-methylphosphinine (PubChem CID 11024459) has the molecular formula C6H4Br3P and a molecular weight of 346.78 g/mol. Its IUPAC name is 2,4,6-tribromo-3-methylphosphinine.

Molecular Properties

Compound Name2,4,6-tribromo-3-methylphosphinine
PubChem CID11024459
Molecular FormulaC6H4Br3P
Molecular Weight346.78 g/mol
Exact Mass343.76
IUPAC Name2,4,6-tribromo-3-methylphosphinine
SMILESCc1c(Br)cc(Br)pc1Br
InChIInChI=1S/C6H4Br3P/c1-3-4(7)2-5(8)10-6(3)9/h2H,1H3
InChIKeyNWBXCZGIZDILAJ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-methylphosphinine?
The IUPAC name of 2,4,6-tribromo-3-methylphosphinine (CID 11024459) is 2,4,6-tribromo-3-methylphosphinine.
What is the SMILES notation for 2,4,6-tribromo-3-methylphosphinine?
The canonical SMILES for 2,4,6-tribromo-3-methylphosphinine is Cc1c(Br)cc(Br)pc1Br.
What is the InChIKey of 2,4,6-tribromo-3-methylphosphinine?
The InChIKey is NWBXCZGIZDILAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br3P/c1-3-4(7)2-5(8)10-6(3)9/h2H,1H3.
What are the key properties of 2,4,6-tribromo-3-methylphosphinine?
2,4,6-tribromo-3-methylphosphinine has a molecular weight of 346.78 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-methylphosphinine is sourced from PubChem (CID 11024459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).