2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine

C10H10Br2F2N2 — CID 10736954

IUPAC2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine
SMILESFc1c(Br)nc(Br)c(F)c1N1CCCCC1
InChIInChI=1S/C10H10Br2F2N2/c11-9-6(13)8(7(14)10(12)15-9)16-4-2-1-3-5-16/h1-5H2
InChIKeyNVGGKJCRPZAVQG-UHFFFAOYSA-N
MW356.01 g/mol
LogP3.88
Rot. Bonds1

About 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine

2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine (PubChem CID 10736954) has the molecular formula C10H10Br2F2N2 and a molecular weight of 356.01 g/mol. Its IUPAC name is 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine
PubChem CID10736954
Molecular FormulaC10H10Br2F2N2
Molecular Weight356.01 g/mol
Exact Mass353.92
IUPAC Name2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine
SMILESFc1c(Br)nc(Br)c(F)c1N1CCCCC1
InChIInChI=1S/C10H10Br2F2N2/c11-9-6(13)8(7(14)10(12)15-9)16-4-2-1-3-5-16/h1-5H2
InChIKeyNVGGKJCRPZAVQG-UHFFFAOYSA-N
XLogP3.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.01
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine?
The IUPAC name of 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine (CID 10736954) is 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine.
What is the SMILES notation for 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine?
The canonical SMILES for 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine is Fc1c(Br)nc(Br)c(F)c1N1CCCCC1.
What is the InChIKey of 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine?
The InChIKey is NVGGKJCRPZAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F2N2/c11-9-6(13)8(7(14)10(12)15-9)16-4-2-1-3-5-16/h1-5H2.
What are the key properties of 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine?
2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine has a molecular weight of 356.01 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,5-difluoro-4-piperidin-1-ylpyridine is sourced from PubChem (CID 10736954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).