3,5-dibromo-4-chloropyridine

C5H2Br2ClN — CID 817094

IUPAC3,5-dibromo-4-chloropyridine
SMILESClc1c(Br)cncc1Br
InChIInChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKeyXNXHPEUZNXWWCH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.26
Rot. Bonds

About 3,5-dibromo-4-chloropyridine

3,5-dibromo-4-chloropyridine (PubChem CID 817094) has the molecular formula C5H2Br2ClN and a molecular weight of 271.34 g/mol. Its IUPAC name is 3,5-dibromo-4-chloropyridine.

Molecular Properties

Compound Name3,5-dibromo-4-chloropyridine
PubChem CID817094
Molecular FormulaC5H2Br2ClN
Molecular Weight271.34 g/mol
Exact Mass268.82
IUPAC Name3,5-dibromo-4-chloropyridine
SMILESClc1c(Br)cncc1Br
InChIInChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKeyXNXHPEUZNXWWCH-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-chloropyridine?
The IUPAC name of 3,5-dibromo-4-chloropyridine (CID 817094) is 3,5-dibromo-4-chloropyridine.
What is the SMILES notation for 3,5-dibromo-4-chloropyridine?
The canonical SMILES for 3,5-dibromo-4-chloropyridine is Clc1c(Br)cncc1Br.
What is the InChIKey of 3,5-dibromo-4-chloropyridine?
The InChIKey is XNXHPEUZNXWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H.
What are the key properties of 3,5-dibromo-4-chloropyridine?
3,5-dibromo-4-chloropyridine has a molecular weight of 271.34 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-chloropyridine is sourced from PubChem (CID 817094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).