5-bromo-2-chloro-4-methylpyridine

C6H5BrClN — CID 2734427

IUPAC5-bromo-2-chloro-4-methylpyridine
SMILESCc1cc(Cl)ncc1Br
InChIInChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKeyISESOOISZHSENQ-UHFFFAOYSA-N
MW206.47 g/mol
LogP2.81
Rot. Bonds

About 5-bromo-2-chloro-4-methylpyridine

5-bromo-2-chloro-4-methylpyridine (PubChem CID 2734427) has the molecular formula C6H5BrClN and a molecular weight of 206.47 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methylpyridine
PubChem CID2734427
Molecular FormulaC6H5BrClN
Molecular Weight206.47 g/mol
Exact Mass204.93
IUPAC Name5-bromo-2-chloro-4-methylpyridine
SMILESCc1cc(Cl)ncc1Br
InChIInChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKeyISESOOISZHSENQ-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.47
LogP ≤ 52.81
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-bromo-2-chloro-4-methylpyridine?
The IUPAC name of 5-bromo-2-chloro-4-methylpyridine (CID 2734427) is 5-bromo-2-chloro-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-chloro-4-methylpyridine?
The canonical SMILES for 5-bromo-2-chloro-4-methylpyridine is Cc1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-methylpyridine?
The InChIKey is ISESOOISZHSENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3.
What are the key properties of 5-bromo-2-chloro-4-methylpyridine?
5-bromo-2-chloro-4-methylpyridine has a molecular weight of 206.47 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methylpyridine is sourced from PubChem (CID 2734427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).