3-(6-bromohexoxy)-2-methylpyridine

C12H18BrNO — CID 145360692

IUPAC3-(6-bromohexoxy)-2-methylpyridine
SMILESCc1ncccc1OCCCCCCBr
InChIInChI=1S/C12H18BrNO/c1-11-12(7-6-9-14-11)15-10-5-3-2-4-8-13/h6-7,9H,2-5,8,10H2,1H3
InChIKeyAENLQDHTFSSGBY-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.72
Rot. Bonds7

About 3-(6-bromohexoxy)-2-methylpyridine

3-(6-bromohexoxy)-2-methylpyridine (PubChem CID 145360692) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(6-bromohexoxy)-2-methylpyridine.

Molecular Properties

Compound Name3-(6-bromohexoxy)-2-methylpyridine
PubChem CID145360692
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-(6-bromohexoxy)-2-methylpyridine
SMILESCc1ncccc1OCCCCCCBr
InChIInChI=1S/C12H18BrNO/c1-11-12(7-6-9-14-11)15-10-5-3-2-4-8-13/h6-7,9H,2-5,8,10H2,1H3
InChIKeyAENLQDHTFSSGBY-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(4-bromobutoxy)pyridine
CID 139649131
5-(9-bromononoxy)quinoline
CID 103044601
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
2-(12-bromododecoxy)phenolate
CID 100985247
3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
CID 143321750
2-(5-bromopentoxy)phenol
CID 13197601
1-(6-bromohexoxy)-2-(chloromethoxy)benzene
CID 54415584
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020
2,3-didecoxypyridine
CID 151922374

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromohexoxy)-2-methylpyridine?
The IUPAC name of 3-(6-bromohexoxy)-2-methylpyridine (CID 145360692) is 3-(6-bromohexoxy)-2-methylpyridine.
What is the SMILES notation for 3-(6-bromohexoxy)-2-methylpyridine?
The canonical SMILES for 3-(6-bromohexoxy)-2-methylpyridine is Cc1ncccc1OCCCCCCBr.
What is the InChIKey of 3-(6-bromohexoxy)-2-methylpyridine?
The InChIKey is AENLQDHTFSSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-11-12(7-6-9-14-11)15-10-5-3-2-4-8-13/h6-7,9H,2-5,8,10H2,1H3.
What are the key properties of 3-(6-bromohexoxy)-2-methylpyridine?
3-(6-bromohexoxy)-2-methylpyridine has a molecular weight of 272.19 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromohexoxy)-2-methylpyridine is sourced from PubChem (CID 145360692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).