3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine

C14H13Br2NO2 — CID 43622762

IUPAC3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(CBr)cc(Br)c1OCc1cccnc1
InChIInChI=1S/C14H13Br2NO2/c1-18-13-6-11(7-15)5-12(16)14(13)19-9-10-3-2-4-17-8-10/h2-6,8H,7,9H2,1H3
InChIKeyQWFAZLJZXBEKAF-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.33
Rot. Bonds5

About 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine

3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine (PubChem CID 43622762) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
PubChem CID43622762
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(CBr)cc(Br)c1OCc1cccnc1
InChIInChI=1S/C14H13Br2NO2/c1-18-13-6-11(7-15)5-12(16)14(13)19-9-10-3-2-4-17-8-10/h2-6,8H,7,9H2,1H3
InChIKeyQWFAZLJZXBEKAF-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

N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4724528
N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 2994076
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
N'-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N-methylpropane-1,3-diamine
CID 2988909
N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724520
N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 6462040
1-[2-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
CID 4724516
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
CID 61392148
5-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-chlorobenzoic acid
CID 17058484
N-[[3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 17057354
4-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 4727074

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
The IUPAC name of 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine (CID 43622762) is 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
The canonical SMILES for 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine is COc1cc(CBr)cc(Br)c1OCc1cccnc1.
What is the InChIKey of 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
The InChIKey is QWFAZLJZXBEKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-18-13-6-11(7-15)5-12(16)14(13)19-9-10-3-2-4-17-8-10/h2-6,8H,7,9H2,1H3.
What are the key properties of 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine?
3-[[2-bromo-4-(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 3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 43622762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).