4-bromo-2-iodo-3-methylpyridine

C6H5BrIN — CID 118817621

IUPAC4-bromo-2-iodo-3-methylpyridine
SMILESCc1c(Br)ccnc1I
InChIInChI=1S/C6H5BrIN/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3
InChIKeyVVQHPVXBQLVRSW-UHFFFAOYSA-N
MW297.92 g/mol
LogP2.76
Rot. Bonds

About 4-bromo-2-iodo-3-methylpyridine

4-bromo-2-iodo-3-methylpyridine (PubChem CID 118817621) has the molecular formula C6H5BrIN and a molecular weight of 297.92 g/mol. Its IUPAC name is 4-bromo-2-iodo-3-methylpyridine.

Molecular Properties

Compound Name4-bromo-2-iodo-3-methylpyridine
PubChem CID118817621
Molecular FormulaC6H5BrIN
Molecular Weight297.92 g/mol
Exact Mass296.87
IUPAC Name4-bromo-2-iodo-3-methylpyridine
SMILESCc1c(Br)ccnc1I
InChIInChI=1S/C6H5BrIN/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3
InChIKeyVVQHPVXBQLVRSW-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.92
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-3-methylpyridine?
The IUPAC name of 4-bromo-2-iodo-3-methylpyridine (CID 118817621) is 4-bromo-2-iodo-3-methylpyridine.
What is the SMILES notation for 4-bromo-2-iodo-3-methylpyridine?
The canonical SMILES for 4-bromo-2-iodo-3-methylpyridine is Cc1c(Br)ccnc1I.
What is the InChIKey of 4-bromo-2-iodo-3-methylpyridine?
The InChIKey is VVQHPVXBQLVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrIN/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3.
What are the key properties of 4-bromo-2-iodo-3-methylpyridine?
4-bromo-2-iodo-3-methylpyridine has a molecular weight of 297.92 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodo-3-methylpyridine is sourced from PubChem (CID 118817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).