5-(4-bromo-3-methylphenyl)-2-chloropyridine

C12H9BrClN — CID 121012233

IUPAC5-(4-bromo-3-methylphenyl)-2-chloropyridine
SMILESCc1cc(-c2ccc(Cl)nc2)ccc1Br
InChIInChI=1S/C12H9BrClN/c1-8-6-9(2-4-11(8)13)10-3-5-12(14)15-7-10/h2-7H,1H3
InChIKeySDDSYMZHUOCHSF-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.47
Rot. Bonds1

About 5-(4-bromo-3-methylphenyl)-2-chloropyridine

5-(4-bromo-3-methylphenyl)-2-chloropyridine (PubChem CID 121012233) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-2-chloropyridine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-2-chloropyridine
PubChem CID121012233
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name5-(4-bromo-3-methylphenyl)-2-chloropyridine
SMILESCc1cc(-c2ccc(Cl)nc2)ccc1Br
InChIInChI=1S/C12H9BrClN/c1-8-6-9(2-4-11(8)13)10-3-5-12(14)15-7-10/h2-7H,1H3
InChIKeySDDSYMZHUOCHSF-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenyl)-2-chloropyridine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-2-chloropyridine (CID 121012233) is 5-(4-bromo-3-methylphenyl)-2-chloropyridine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-2-chloropyridine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-2-chloropyridine is Cc1cc(-c2ccc(Cl)nc2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-2-chloropyridine?
The InChIKey is SDDSYMZHUOCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c1-8-6-9(2-4-11(8)13)10-3-5-12(14)15-7-10/h2-7H,1H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)-2-chloropyridine?
5-(4-bromo-3-methylphenyl)-2-chloropyridine has a molecular weight of 282.57 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)-2-chloropyridine is sourced from PubChem (CID 121012233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).