2-bromo-4-iodo-3-methylpyridine

C6H5BrIN — CID 119024752

IUPAC2-bromo-4-iodo-3-methylpyridine
SMILESCc1c(I)ccnc1Br
InChIInChI=1S/C6H5BrIN/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3
InChIKeyADTBELPVKHLIML-UHFFFAOYSA-N
MW297.92 g/mol
LogP2.76
Rot. Bonds

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

2-bromo-4-iodo-3-methylpyridine (PubChem CID 119024752) has the molecular formula C6H5BrIN and a molecular weight of 297.92 g/mol. Its IUPAC name is 2-bromo-4-iodo-3-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-iodo-3-methylpyridine
PubChem CID119024752
Molecular FormulaC6H5BrIN
Molecular Weight297.92 g/mol
Exact Mass296.87
IUPAC Name2-bromo-4-iodo-3-methylpyridine
SMILESCc1c(I)ccnc1Br
InChIInChI=1S/C6H5BrIN/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3
InChIKeyADTBELPVKHLIML-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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Related Compounds

4-bromo-2-iodo-3-methylpyridine
CID 118817621
2-bromo-3-methyl-4-pyridin-4-ylpyridine
CID 175591584
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
4-benzyl-2-bromo-3-methylpyridine
CID 175801806
2-bromo-4-ethyl-3-fluoropyridine
CID 130138685
2-bromo-4-(difluoromethyl)-3-iodopyridine
CID 119013821
2-bromo-4-chloro-3-iodopyridine
CID 59332995
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609
2-(cyclopropylmethoxy)-4-iodo-3-methylpyridine
CID 156612397
5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine
CID 174798343
1-bromo-5,8-dimethylisoquinoline
CID 82276385
2-bromo-3-methylpyridine;ethane
CID 143610978

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodo-3-methylpyridine?
The IUPAC name of 2-bromo-4-iodo-3-methylpyridine (CID 119024752) is 2-bromo-4-iodo-3-methylpyridine.
What is the SMILES notation for 2-bromo-4-iodo-3-methylpyridine?
The canonical SMILES for 2-bromo-4-iodo-3-methylpyridine is Cc1c(I)ccnc1Br.
What is the InChIKey of 2-bromo-4-iodo-3-methylpyridine?
The InChIKey is ADTBELPVKHLIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrIN/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3.
What are the key properties of 2-bromo-4-iodo-3-methylpyridine?
2-bromo-4-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 2-bromo-4-iodo-3-methylpyridine is sourced from PubChem (CID 119024752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).