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

C15H15Br2NO2 — CID 43627281

IUPAC4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
SMILESCCOc1cc(CBr)cc(Br)c1OCc1ccncc1
InChIInChI=1S/C15H15Br2NO2/c1-2-19-14-8-12(9-16)7-13(17)15(14)20-10-11-3-5-18-6-4-11/h3-8H,2,9-10H2,1H3
InChIKeyFBTPGBMRMWGVFQ-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.72
Rot. Bonds6

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

4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine (PubChem CID 43627281) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
PubChem CID43627281
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
SMILESCCOc1cc(CBr)cc(Br)c1OCc1ccncc1
InChIInChI=1S/C15H15Br2NO2/c1-2-19-14-8-12(9-16)7-13(17)15(14)20-10-11-3-5-18-6-4-11/h3-8H,2,9-10H2,1H3
InChIKeyFBTPGBMRMWGVFQ-UHFFFAOYSA-N
XLogP4.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.72
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

4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292852
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292876
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
4-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891684
4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine
CID 43324541
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
CID 43627312
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
1-bromo-5-(bromomethyl)-3-ethoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 43627287
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292612

Frequently Asked Questions

What is the IUPAC name of 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine (CID 43627281) is 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine is CCOc1cc(CBr)cc(Br)c1OCc1ccncc1.
What is the InChIKey of 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine?
The InChIKey is FBTPGBMRMWGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-2-19-14-8-12(9-16)7-13(17)15(14)20-10-11-3-5-18-6-4-11/h3-8H,2,9-10H2,1H3.
What are the key properties of 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine?
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine has a molecular weight of 401.10 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 43627281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).