5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine

C14H13Br2NO2 — CID 113454492

IUPAC5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
SMILESCOc1cccc(CBr)c1OCc1ccc(Br)cn1
InChIInChI=1S/C14H13Br2NO2/c1-18-13-4-2-3-10(7-15)14(13)19-9-12-6-5-11(16)8-17-12/h2-6,8H,7,9H2,1H3
InChIKeyQDFRBDPYEDKYMW-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.33
Rot. Bonds5

About 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine

5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine (PubChem CID 113454492) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
PubChem CID113454492
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
SMILESCOc1cccc(CBr)c1OCc1ccc(Br)cn1
InChIInChI=1S/C14H13Br2NO2/c1-18-13-4-2-3-10(7-15)14(13)19-9-12-6-5-11(16)8-17-12/h2-6,8H,7,9H2,1H3
InChIKeyQDFRBDPYEDKYMW-UHFFFAOYSA-N
XLogP4.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511
1-(bromomethyl)-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 63534182
5-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641131
[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 104798784
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
2-[2-(bromomethyl)-6-methoxyphenoxy]acetonitrile
CID 43471913
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
1-(bromomethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine (CID 113454492) is 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine is COc1cccc(CBr)c1OCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
The InChIKey is QDFRBDPYEDKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-18-13-4-2-3-10(7-15)14(13)19-9-12-6-5-11(16)8-17-12/h2-6,8H,7,9H2,1H3.
What are the key properties of 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine has a molecular weight of 387.07 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 113454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).