5-bromo-2-chloro-4-(2-methylpropoxy)pyridine

C9H11BrClNO — CID 162680709

IUPAC5-bromo-2-chloro-4-(2-methylpropoxy)pyridine
SMILESCC(C)COc1cc(Cl)ncc1Br
InChIInChI=1S/C9H11BrClNO/c1-6(2)5-13-8-3-9(11)12-4-7(8)10/h3-4,6H,5H2,1-2H3
InChIKeyNWOYHMSKRWZHDV-UHFFFAOYSA-N
MW264.55 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine

5-bromo-2-chloro-4-(2-methylpropoxy)pyridine (PubChem CID 162680709) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(2-methylpropoxy)pyridine
PubChem CID162680709
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name5-bromo-2-chloro-4-(2-methylpropoxy)pyridine
SMILESCC(C)COc1cc(Cl)ncc1Br
InChIInChI=1S/C9H11BrClNO/c1-6(2)5-13-8-3-9(11)12-4-7(8)10/h3-4,6H,5H2,1-2H3
InChIKeyNWOYHMSKRWZHDV-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine?
The IUPAC name of 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine (CID 162680709) is 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine.
What is the SMILES notation for 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine?
The canonical SMILES for 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine is CC(C)COc1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine?
The InChIKey is NWOYHMSKRWZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-6(2)5-13-8-3-9(11)12-4-7(8)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine?
5-bromo-2-chloro-4-(2-methylpropoxy)pyridine has a molecular weight of 264.55 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(2-methylpropoxy)pyridine is sourced from PubChem (CID 162680709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).