3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine

C13H11Br2NO — CID 61392148

IUPAC3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
SMILESBrCc1cccc(Br)c1OCc1cccnc1
InChIInChI=1S/C13H11Br2NO/c14-7-11-4-1-5-12(15)13(11)17-9-10-3-2-6-16-8-10/h1-6,8H,7,9H2
InChIKeySBKIUODILQZCLJ-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.32
Rot. Bonds4

About 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine

3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine (PubChem CID 61392148) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
PubChem CID61392148
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
SMILESBrCc1cccc(Br)c1OCc1cccnc1
InChIInChI=1S/C13H11Br2NO/c14-7-11-4-1-5-12(15)13(11)17-9-10-3-2-6-16-8-10/h1-6,8H,7,9H2
InChIKeySBKIUODILQZCLJ-UHFFFAOYSA-N
XLogP4.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.32
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

3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
N-[[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 107742755
4-[[2-bromo-6-(bromomethyl)phenoxy]methyl]quinoline
CID 79231445
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-bromo-3-(bromomethyl)-2-[(4-chloro-3-fluorophenyl)methoxy]benzene
CID 107882612
2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
CID 65364520

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine (CID 61392148) is 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine is BrCc1cccc(Br)c1OCc1cccnc1.
What is the InChIKey of 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine?
The InChIKey is SBKIUODILQZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-7-11-4-1-5-12(15)13(11)17-9-10-3-2-6-16-8-10/h1-6,8H,7,9H2.
What are the key properties of 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine?
3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine has a molecular weight of 357.05 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 61392148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).