2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine

C12H17BrN2 — CID 170582340

IUPAC2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
SMILESCC1C[C@H](C)CN(c2cccc(Br)n2)C1
InChIInChI=1S/C12H17BrN2/c1-9-6-10(2)8-15(7-9)12-5-3-4-11(13)14-12/h3-5,9-10H,6-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyNJGGCRRNCASGNW-RGURZIINSA-N
MW269.19 g/mol
LogP3.33
Rot. Bonds1

About 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine

2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine (PubChem CID 170582340) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
PubChem CID170582340
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
SMILESCC1C[C@H](C)CN(c2cccc(Br)n2)C1
InChIInChI=1S/C12H17BrN2/c1-9-6-10(2)8-15(7-9)12-5-3-4-11(13)14-12/h3-5,9-10H,6-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyNJGGCRRNCASGNW-RGURZIINSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.33
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-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine?
The IUPAC name of 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine (CID 170582340) is 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine?
The canonical SMILES for 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine is CC1C[C@H](C)CN(c2cccc(Br)n2)C1.
What is the InChIKey of 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine?
The InChIKey is NJGGCRRNCASGNW-RGURZIINSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-6-10(2)8-15(7-9)12-5-3-4-11(13)14-12/h3-5,9-10H,6-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine?
2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine has a molecular weight of 269.19 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine is sourced from PubChem (CID 170582340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).