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

C12H17BrN2 — CID 102031817

IUPAC2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1cccc(Br)n1
InChIInChI=1S/C12H17BrN2/c1-9-5-3-6-10(2)15(9)12-8-4-7-11(13)14-12/h4,7-10H,3,5-6H2,1-2H3/t9-,10+
InChIKeyBNXPWRBCZBIDCP-AOOOYVTPSA-N
MW269.19 g/mol
LogP3.61
Rot. Bonds1

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

2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine (PubChem CID 102031817) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
PubChem CID102031817
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1cccc(Br)n1
InChIInChI=1S/C12H17BrN2/c1-9-5-3-6-10(2)15(9)12-8-4-7-11(13)14-12/h4,7-10H,3,5-6H2,1-2H3/t9-,10+
InChIKeyBNXPWRBCZBIDCP-AOOOYVTPSA-N
XLogP3.61
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 ≤ 53.61
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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Related Compounds

(9R,13R)-4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409316
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
1-(6-Iodopyridin-2-yl)-4-methylpiperazine
CID 10804369
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
(9S,13R)-4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409317
5-bromo-N,N-dimethylpyridin-2-amine
CID 3803041
6-Bromo-N,N-diethylpyridin-2-amine
CID 18696589
4-Bromo-2-piperidinopyridine
CID 4172707
5-Bromo-N-methyl-N-(propan-2-yl)pyridin-2-amine
CID 61373027
6-bromo-N,N-dimethylpyridin-2-amine
CID 14006062
N-(5-bromo-6-methyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
CID 54757640
N'-(5-Bromopyridin-2-yl)-N,N-dimethylformimidamide
CID 4288956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
The IUPAC name of 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine (CID 102031817) is 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
The canonical SMILES for 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine is C[C@@H]1CCC[C@H](C)N1c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
The InChIKey is BNXPWRBCZBIDCP-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-5-3-6-10(2)15(9)12-8-4-7-11(13)14-12/h4,7-10H,3,5-6H2,1-2H3/t9-,10+.
What are the key properties of 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine?
2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine has a molecular weight of 269.19 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine is sourced from PubChem (CID 102031817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).