3,4,5-tribromopyridine

C5H2Br3N — CID 541462

IUPAC3,4,5-tribromopyridine
SMILESBrc1cncc(Br)c1Br
InChIInChI=1S/C5H2Br3N/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKeyCWYVUHWKGWQPLP-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.37
Rot. Bonds

About 3,4,5-tribromopyridine

3,4,5-tribromopyridine (PubChem CID 541462) has the molecular formula C5H2Br3N and a molecular weight of 315.79 g/mol. Its IUPAC name is 3,4,5-tribromopyridine.

Molecular Properties

Compound Name3,4,5-tribromopyridine
PubChem CID541462
Molecular FormulaC5H2Br3N
Molecular Weight315.79 g/mol
Exact Mass312.77
IUPAC Name3,4,5-tribromopyridine
SMILESBrc1cncc(Br)c1Br
InChIInChI=1S/C5H2Br3N/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKeyCWYVUHWKGWQPLP-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tribromopyridine?
The IUPAC name of 3,4,5-tribromopyridine (CID 541462) is 3,4,5-tribromopyridine.
What is the SMILES notation for 3,4,5-tribromopyridine?
The canonical SMILES for 3,4,5-tribromopyridine is Brc1cncc(Br)c1Br.
What is the InChIKey of 3,4,5-tribromopyridine?
The InChIKey is CWYVUHWKGWQPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br3N/c6-3-1-9-2-4(7)5(3)8/h1-2H.
What are the key properties of 3,4,5-tribromopyridine?
3,4,5-tribromopyridine has a molecular weight of 315.79 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tribromopyridine is sourced from PubChem (CID 541462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).