2,4-dibromo-1,3,5-trimethyl-2H-pyridine

C8H11Br2N — CID 156775538

IUPAC2,4-dibromo-1,3,5-trimethyl-2H-pyridine
SMILESCC1=CN(C)C(Br)C(C)=C1Br
InChIInChI=1S/C8H11Br2N/c1-5-4-11(3)8(10)6(2)7(5)9/h4,8H,1-3H3
InChIKeyBPZKQPWIFHSYCF-UHFFFAOYSA-N
MW280.99 g/mol
LogP3.23
Rot. Bonds

About 2,4-dibromo-1,3,5-trimethyl-2H-pyridine

2,4-dibromo-1,3,5-trimethyl-2H-pyridine (PubChem CID 156775538) has the molecular formula C8H11Br2N and a molecular weight of 280.99 g/mol. Its IUPAC name is 2,4-dibromo-1,3,5-trimethyl-2H-pyridine.

Molecular Properties

Compound Name2,4-dibromo-1,3,5-trimethyl-2H-pyridine
PubChem CID156775538
Molecular FormulaC8H11Br2N
Molecular Weight280.99 g/mol
Exact Mass278.93
IUPAC Name2,4-dibromo-1,3,5-trimethyl-2H-pyridine
SMILESCC1=CN(C)C(Br)C(C)=C1Br
InChIInChI=1S/C8H11Br2N/c1-5-4-11(3)8(10)6(2)7(5)9/h4,8H,1-3H3
InChIKeyBPZKQPWIFHSYCF-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.99
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3,5-trimethyl-2H-pyridine?
The IUPAC name of 2,4-dibromo-1,3,5-trimethyl-2H-pyridine (CID 156775538) is 2,4-dibromo-1,3,5-trimethyl-2H-pyridine.
What is the SMILES notation for 2,4-dibromo-1,3,5-trimethyl-2H-pyridine?
The canonical SMILES for 2,4-dibromo-1,3,5-trimethyl-2H-pyridine is CC1=CN(C)C(Br)C(C)=C1Br.
What is the InChIKey of 2,4-dibromo-1,3,5-trimethyl-2H-pyridine?
The InChIKey is BPZKQPWIFHSYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2N/c1-5-4-11(3)8(10)6(2)7(5)9/h4,8H,1-3H3.
What are the key properties of 2,4-dibromo-1,3,5-trimethyl-2H-pyridine?
2,4-dibromo-1,3,5-trimethyl-2H-pyridine has a molecular weight of 280.99 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3,5-trimethyl-2H-pyridine is sourced from PubChem (CID 156775538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).