3-bromo-4-(1-ethoxyethyl)pyridine

C9H12BrNO — CID 71104941

IUPAC3-bromo-4-(1-ethoxyethyl)pyridine
SMILESCCOC(C)c1ccncc1Br
InChIInChI=1S/C9H12BrNO/c1-3-12-7(2)8-4-5-11-6-9(8)10/h4-7H,3H2,1-2H3
InChIKeyWWUBLSKQOBOZDT-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.94
Rot. Bonds3

About 3-bromo-4-(1-ethoxyethyl)pyridine

3-bromo-4-(1-ethoxyethyl)pyridine (PubChem CID 71104941) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 3-bromo-4-(1-ethoxyethyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(1-ethoxyethyl)pyridine
PubChem CID71104941
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name3-bromo-4-(1-ethoxyethyl)pyridine
SMILESCCOC(C)c1ccncc1Br
InChIInChI=1S/C9H12BrNO/c1-3-12-7(2)8-4-5-11-6-9(8)10/h4-7H,3H2,1-2H3
InChIKeyWWUBLSKQOBOZDT-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-(1-ethoxyethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate
CID 143270159
ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
CID 121230185
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391
3-(diethoxymethyl)-4-methylpyridine
CID 55269894
2-(1-ethoxyethyl)pyrazine
CID 71406239
3-bromo-4-ethylpyridine
CID 13160533
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
CID 116712381
ethyl 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]acetate
CID 104779166
4-bromo-3-(1-bromoethyl)pyridine
CID 119087167
[2-ethoxy-1-(3-fluoro-4-pyridinyl)propyl]hydrazine
CID 105222856
(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
CID 130713108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1-ethoxyethyl)pyridine?
The IUPAC name of 3-bromo-4-(1-ethoxyethyl)pyridine (CID 71104941) is 3-bromo-4-(1-ethoxyethyl)pyridine.
What is the SMILES notation for 3-bromo-4-(1-ethoxyethyl)pyridine?
The canonical SMILES for 3-bromo-4-(1-ethoxyethyl)pyridine is CCOC(C)c1ccncc1Br.
What is the InChIKey of 3-bromo-4-(1-ethoxyethyl)pyridine?
The InChIKey is WWUBLSKQOBOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-3-12-7(2)8-4-5-11-6-9(8)10/h4-7H,3H2,1-2H3.
What are the key properties of 3-bromo-4-(1-ethoxyethyl)pyridine?
3-bromo-4-(1-ethoxyethyl)pyridine has a molecular weight of 230.10 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(1-ethoxyethyl)pyridine is sourced from PubChem (CID 71104941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).