3,5-dibromo-1-methyl-2H-pyridine

C6H7Br2N — CID 71022405

IUPAC3,5-dibromo-1-methyl-2H-pyridine
SMILESCN1C=C(Br)C=C(Br)C1
InChIInChI=1S/C6H7Br2N/c1-9-3-5(7)2-6(8)4-9/h2-3H,4H2,1H3
InChIKeyCRTPZBHHIGVGME-UHFFFAOYSA-N
MW252.94 g/mol
LogP2.45
Rot. Bonds

About 3,5-dibromo-1-methyl-2H-pyridine

3,5-dibromo-1-methyl-2H-pyridine (PubChem CID 71022405) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is 3,5-dibromo-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3,5-dibromo-1-methyl-2H-pyridine
PubChem CID71022405
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name3,5-dibromo-1-methyl-2H-pyridine
SMILESCN1C=C(Br)C=C(Br)C1
InChIInChI=1S/C6H7Br2N/c1-9-3-5(7)2-6(8)4-9/h2-3H,4H2,1H3
InChIKeyCRTPZBHHIGVGME-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.94
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-methyl-2H-pyridine?
The IUPAC name of 3,5-dibromo-1-methyl-2H-pyridine (CID 71022405) is 3,5-dibromo-1-methyl-2H-pyridine.
What is the SMILES notation for 3,5-dibromo-1-methyl-2H-pyridine?
The canonical SMILES for 3,5-dibromo-1-methyl-2H-pyridine is CN1C=C(Br)C=C(Br)C1.
What is the InChIKey of 3,5-dibromo-1-methyl-2H-pyridine?
The InChIKey is CRTPZBHHIGVGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N/c1-9-3-5(7)2-6(8)4-9/h2-3H,4H2,1H3.
What are the key properties of 3,5-dibromo-1-methyl-2H-pyridine?
3,5-dibromo-1-methyl-2H-pyridine has a molecular weight of 252.94 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-methyl-2H-pyridine is sourced from PubChem (CID 71022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).