5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine

C16H18BrNO — CID 107086855

IUPAC5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
SMILESCc1cc(Oc2ccc(CBr)cn2)ccc1C(C)C
InChIInChI=1S/C16H18BrNO/c1-11(2)15-6-5-14(8-12(15)3)19-16-7-4-13(9-17)10-18-16/h4-8,10-11H,9H2,1-3H3
InChIKeyQNDJAPWBMLYGPT-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.20
Rot. Bonds4

About 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine

5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine (PubChem CID 107086855) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
PubChem CID107086855
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
SMILESCc1cc(Oc2ccc(CBr)cn2)ccc1C(C)C
InChIInChI=1S/C16H18BrNO/c1-11(2)15-6-5-14(8-12(15)3)19-16-7-4-13(9-17)10-18-16/h4-8,10-11H,9H2,1-3H3
InChIKeyQNDJAPWBMLYGPT-UHFFFAOYSA-N
XLogP5.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)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

5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
CID 107087768
5-(chloromethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 113387978
5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
CID 107087158
5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
CID 107087262
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol
CID 61257121
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 107087446
7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
CID 107314168
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine (CID 107086855) is 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine is Cc1cc(Oc2ccc(CBr)cn2)ccc1C(C)C.
What is the InChIKey of 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine?
The InChIKey is QNDJAPWBMLYGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11(2)15-6-5-14(8-12(15)3)19-16-7-4-13(9-17)10-18-16/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine?
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine has a molecular weight of 320.23 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 107086855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).