5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine

C17H20BrNO — CID 107666158

IUPAC5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
SMILESCCC(C)c1ccc(Oc2ncc(CBr)cc2C)cc1
InChIInChI=1S/C17H20BrNO/c1-4-12(2)15-5-7-16(8-6-15)20-17-13(3)9-14(10-18)11-19-17/h5-9,11-12H,4,10H2,1-3H3
InChIKeySPXGGARYMIQMDW-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.59
Rot. Bonds5

About 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine

5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine (PubChem CID 107666158) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
PubChem CID107666158
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
SMILESCCC(C)c1ccc(Oc2ncc(CBr)cc2C)cc1
InChIInChI=1S/C17H20BrNO/c1-4-12(2)15-5-7-16(8-6-15)20-17-13(3)9-14(10-18)11-19-17/h5-9,11-12H,4,10H2,1-3H3
InChIKeySPXGGARYMIQMDW-UHFFFAOYSA-N
XLogP5.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
CID 107087634
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 107088846
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine (CID 107666158) is 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine is CCC(C)c1ccc(Oc2ncc(CBr)cc2C)cc1.
What is the InChIKey of 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine?
The InChIKey is SPXGGARYMIQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-12(2)15-5-7-16(8-6-15)20-17-13(3)9-14(10-18)11-19-17/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine?
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine has a molecular weight of 334.26 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine is sourced from PubChem (CID 107666158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).