3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane

C13H8Br6Cl4N2 — CID 160689191

IUPAC3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane
SMILESBrc1ccc(Br)c(C(Br)Br)n1.Cc1nc(Br)ccc1Br.ClC(Cl)(Cl)Cl
InChIInChI=1S/C6H3Br4N.C6H5Br2N.CCl4/c7-3-1-2-4(8)11-5(3)6(9)10;1-4-5(7)2-3-6(8)9-4;2-1(3,4)5/h1-2,6H;2-3H,1H3;
InChIKeyRPELRPMMCMIEAN-UHFFFAOYSA-N
MW813.46 g/mol
LogP9.86
Rot. Bonds1

About 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane

3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane (PubChem CID 160689191) has the molecular formula C13H8Br6Cl4N2 and a molecular weight of 813.46 g/mol. Its IUPAC name is 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane.

Molecular Properties

Compound Name3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane
PubChem CID160689191
Molecular FormulaC13H8Br6Cl4N2
Molecular Weight813.46 g/mol
Exact Mass805.45
IUPAC Name3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane
SMILESBrc1ccc(Br)c(C(Br)Br)n1.Cc1nc(Br)ccc1Br.ClC(Cl)(Cl)Cl
InChIInChI=1S/C6H3Br4N.C6H5Br2N.CCl4/c7-3-1-2-4(8)11-5(3)6(9)10;1-4-5(7)2-3-6(8)9-4;2-1(3,4)5/h1-2,6H;2-3H,1H3;
InChIKeyRPELRPMMCMIEAN-UHFFFAOYSA-N
XLogP9.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.46
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane?
The IUPAC name of 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane (CID 160689191) is 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane.
What is the SMILES notation for 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane?
The canonical SMILES for 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane is Brc1ccc(Br)c(C(Br)Br)n1.Cc1nc(Br)ccc1Br.ClC(Cl)(Cl)Cl.
What is the InChIKey of 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane?
The InChIKey is RPELRPMMCMIEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br4N.C6H5Br2N.CCl4/c7-3-1-2-4(8)11-5(3)6(9)10;1-4-5(7)2-3-6(8)9-4;2-1(3,4)5/h1-2,6H;2-3H,1H3;.
What are the key properties of 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane?
3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane has a molecular weight of 813.46 g/mol, XLogP of 9.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane is sourced from PubChem (CID 160689191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).