2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine

C15H15BrClNO — CID 63961923

IUPAC2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1cccc(Br)n1
InChIInChI=1S/C15H15BrClNO/c1-9(2)11-8-13(10(3)7-12(11)17)19-15-6-4-5-14(16)18-15/h4-9H,1-3H3
InChIKeyRMJUFQGSEXRHOQ-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.72
Rot. Bonds3

About 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine

2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine (PubChem CID 63961923) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
PubChem CID63961923
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1cccc(Br)n1
InChIInChI=1S/C15H15BrClNO/c1-9(2)11-8-13(10(3)7-12(11)17)19-15-6-4-5-14(16)18-15/h4-9H,1-3H3
InChIKeyRMJUFQGSEXRHOQ-UHFFFAOYSA-N
XLogP5.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-(4-chloro-2-methyl-5-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

2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
2-bromo-5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,4-thiadiazole
CID 64623449
2-bromo-6-(2,3-dimethylphenoxy)pyridine
CID 63961920
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80874408
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
CID 63736064
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine?
The IUPAC name of 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine (CID 63961923) is 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine is Cc1cc(Cl)c(C(C)C)cc1Oc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine?
The InChIKey is RMJUFQGSEXRHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9(2)11-8-13(10(3)7-12(11)17)19-15-6-4-5-14(16)18-15/h4-9H,1-3H3.
What are the key properties of 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine?
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine has a molecular weight of 340.65 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 63961923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).