3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine

C11H12BrN3O — CID 66153755

IUPAC3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine
SMILESCCn1cncc1COc1cncc(Br)c1
InChIInChI=1S/C11H12BrN3O/c1-2-15-8-14-5-10(15)7-16-11-3-9(12)4-13-6-11/h3-6,8H,2,7H2,1H3
InChIKeyRJICICXKTKFYNF-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.64
Rot. Bonds4

About 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine

3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine (PubChem CID 66153755) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine
PubChem CID66153755
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine
SMILESCCn1cncc1COc1cncc(Br)c1
InChIInChI=1S/C11H12BrN3O/c1-2-15-8-14-5-10(15)7-16-11-3-9(12)4-13-6-11/h3-6,8H,2,7H2,1H3
InChIKeyRJICICXKTKFYNF-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[(3-methylimidazol-4-yl)methoxy]pyridine
CID 66140514
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948
[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
CID 112621150
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947375
1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
CID 113323069
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 66155308
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
3-bromo-5-phenylmethoxypyridine
CID 15389198
3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine
CID 107043116

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine?
The IUPAC name of 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine (CID 66153755) is 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine?
The canonical SMILES for 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine is CCn1cncc1COc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine?
The InChIKey is RJICICXKTKFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-15-8-14-5-10(15)7-16-11-3-9(12)4-13-6-11/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine?
3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine is sourced from PubChem (CID 66153755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).