3,5-dibromo-4-piperidin-1-ylpyridine

C10H12Br2N2 — CID 629258

IUPAC3,5-dibromo-4-piperidin-1-ylpyridine
SMILESBrc1cncc(Br)c1N1CCCCC1
InChIInChI=1S/C10H12Br2N2/c11-8-6-13-7-9(12)10(8)14-4-2-1-3-5-14/h6-7H,1-5H2
InChIKeyRDIICJNJPKTMGN-UHFFFAOYSA-N
MW320.03 g/mol
LogP3.60
Rot. Bonds1

About 3,5-dibromo-4-piperidin-1-ylpyridine

3,5-dibromo-4-piperidin-1-ylpyridine (PubChem CID 629258) has the molecular formula C10H12Br2N2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 3,5-dibromo-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name3,5-dibromo-4-piperidin-1-ylpyridine
PubChem CID629258
Molecular FormulaC10H12Br2N2
Molecular Weight320.03 g/mol
Exact Mass317.94
IUPAC Name3,5-dibromo-4-piperidin-1-ylpyridine
SMILESBrc1cncc(Br)c1N1CCCCC1
InChIInChI=1S/C10H12Br2N2/c11-8-6-13-7-9(12)10(8)14-4-2-1-3-5-14/h6-7H,1-5H2
InChIKeyRDIICJNJPKTMGN-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-piperidin-1-ylpyridine?
The IUPAC name of 3,5-dibromo-4-piperidin-1-ylpyridine (CID 629258) is 3,5-dibromo-4-piperidin-1-ylpyridine.
What is the SMILES notation for 3,5-dibromo-4-piperidin-1-ylpyridine?
The canonical SMILES for 3,5-dibromo-4-piperidin-1-ylpyridine is Brc1cncc(Br)c1N1CCCCC1.
What is the InChIKey of 3,5-dibromo-4-piperidin-1-ylpyridine?
The InChIKey is RDIICJNJPKTMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2/c11-8-6-13-7-9(12)10(8)14-4-2-1-3-5-14/h6-7H,1-5H2.
What are the key properties of 3,5-dibromo-4-piperidin-1-ylpyridine?
3,5-dibromo-4-piperidin-1-ylpyridine has a molecular weight of 320.03 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-piperidin-1-ylpyridine is sourced from PubChem (CID 629258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).