2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine

C15H15Br2NO — CID 112621371

IUPAC2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
SMILESCc1cc(Br)cc(CBr)c1OCCc1ccccn1
InChIInChI=1S/C15H15Br2NO/c1-11-8-13(17)9-12(10-16)15(11)19-7-5-14-4-2-3-6-18-14/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyRNVNUOZPFRJXIU-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.67
Rot. Bonds5

About 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine

2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine (PubChem CID 112621371) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
PubChem CID112621371
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
SMILESCc1cc(Br)cc(CBr)c1OCCc1ccccn1
InChIInChI=1S/C15H15Br2NO/c1-11-8-13(17)9-12(10-16)15(11)19-7-5-14-4-2-3-6-18-14/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyRNVNUOZPFRJXIU-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911733
2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
CID 60891469
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
5-[4-bromo-2-(bromomethyl)-6-methylphenoxy]pentanenitrile
CID 112621311
5-bromo-1-(bromomethyl)-3-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
CID 116616493
N-[[5-bromo-2-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290065
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
CID 62001343
1-[5-bromo-3-methyl-2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 115962767
6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 104574434
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine (CID 112621371) is 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine is Cc1cc(Br)cc(CBr)c1OCCc1ccccn1.
What is the InChIKey of 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine?
The InChIKey is RNVNUOZPFRJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-11-8-13(17)9-12(10-16)15(11)19-7-5-14-4-2-3-6-18-14/h2-4,6,8-9H,5,7,10H2,1H3.
What are the key properties of 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine?
2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine has a molecular weight of 385.10 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine is sourced from PubChem (CID 112621371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).