3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine

C11H12BrN3O — CID 106878112

IUPAC3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
SMILESCCn1cc(Oc2nccc(C)c2Br)cn1
InChIInChI=1S/C11H12BrN3O/c1-3-15-7-9(6-14-15)16-11-10(12)8(2)4-5-13-11/h4-7H,3H2,1-2H3
InChIKeyGPYZWSUMGLRMKF-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.16
Rot. Bonds3

About 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine

3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine (PubChem CID 106878112) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
PubChem CID106878112
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
SMILESCCn1cc(Oc2nccc(C)c2Br)cn1
InChIInChI=1S/C11H12BrN3O/c1-3-15-7-9(6-14-15)16-11-10(12)8(2)4-5-13-11/h4-7H,3H2,1-2H3
InChIKeyGPYZWSUMGLRMKF-UHFFFAOYSA-N
XLogP3.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 116801405
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 126837841
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391771
3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 106877752
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
CID 106999377

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine?
The IUPAC name of 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine (CID 106878112) is 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine is CCn1cc(Oc2nccc(C)c2Br)cn1.
What is the InChIKey of 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine?
The InChIKey is GPYZWSUMGLRMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-3-15-7-9(6-14-15)16-11-10(12)8(2)4-5-13-11/h4-7H,3H2,1-2H3.
What are the key properties of 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine?
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine has a molecular weight of 282.14 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine is sourced from PubChem (CID 106878112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).