2-(bromomethyl)-5-(ethoxymethoxy)pyridine

C9H12BrNO2 — CID 79800750

IUPAC2-(bromomethyl)-5-(ethoxymethoxy)pyridine
SMILESCCOCOc1ccc(CBr)nc1
InChIInChI=1S/C9H12BrNO2/c1-2-12-7-13-9-4-3-8(5-10)11-6-9/h3-4,6H,2,5,7H2,1H3
InChIKeySKKINOFIMUONQP-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.35
Rot. Bonds5

About 2-(bromomethyl)-5-(ethoxymethoxy)pyridine

2-(bromomethyl)-5-(ethoxymethoxy)pyridine (PubChem CID 79800750) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(ethoxymethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(ethoxymethoxy)pyridine
PubChem CID79800750
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-(bromomethyl)-5-(ethoxymethoxy)pyridine
SMILESCCOCOc1ccc(CBr)nc1
InChIInChI=1S/C9H12BrNO2/c1-2-12-7-13-9-4-3-8(5-10)11-6-9/h3-4,6H,2,5,7H2,1H3
InChIKeySKKINOFIMUONQP-UHFFFAOYSA-N
XLogP2.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
CID 79800580
2-(bromomethyl)-5-[[6-(bromomethyl)-3-pyridinyl]oxy-methylphosphoryl]oxypyridine
CID 175489670
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
CID 79799571
2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
CID 79799847
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile
CID 79799481
2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine
CID 79799943
2-(bromomethyl)-5-[(2-methoxyphenyl)methoxy]pyridine
CID 79799388

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(ethoxymethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-5-(ethoxymethoxy)pyridine (CID 79800750) is 2-(bromomethyl)-5-(ethoxymethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(ethoxymethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-5-(ethoxymethoxy)pyridine is CCOCOc1ccc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-(ethoxymethoxy)pyridine?
The InChIKey is SKKINOFIMUONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-2-12-7-13-9-4-3-8(5-10)11-6-9/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(ethoxymethoxy)pyridine?
2-(bromomethyl)-5-(ethoxymethoxy)pyridine has a molecular weight of 246.10 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(ethoxymethoxy)pyridine is sourced from PubChem (CID 79800750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).