2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine

C14H14BrNO — CID 54970606

IUPAC2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
SMILESBrc1ccc(COCCc2ccccn2)cc1
InChIInChI=1S/C14H14BrNO/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14/h1-7,9H,8,10-11H2
InChIKeyBULOWRLLXSLNCH-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.60
Rot. Bonds5

About 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine

2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine (PubChem CID 54970606) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
PubChem CID54970606
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
SMILESBrc1ccc(COCCc2ccccn2)cc1
InChIInChI=1S/C14H14BrNO/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14/h1-7,9H,8,10-11H2
InChIKeyBULOWRLLXSLNCH-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine
CID 134328628
2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
CID 55206860
2-chloro-4-(2-pyridin-2-ylethoxymethyl)pyridine
CID 62471234
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 106698358
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine (CID 54970606) is 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine is Brc1ccc(COCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine?
The InChIKey is BULOWRLLXSLNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14/h1-7,9H,8,10-11H2.
What are the key properties of 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine?
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine has a molecular weight of 292.18 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine is sourced from PubChem (CID 54970606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).