methyl 5-bromo-2-iodopyridine-3-carboxylate

C7H5BrINO2 — CID 133062005

IUPACmethyl 5-bromo-2-iodopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1I
InChIInChI=1S/C7H5BrINO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChIKeyZFRKLXSQBYKLFV-UHFFFAOYSA-N
MW341.93 g/mol
LogP2.24
Rot. Bonds1

About methyl 5-bromo-2-iodopyridine-3-carboxylate

methyl 5-bromo-2-iodopyridine-3-carboxylate (PubChem CID 133062005) has the molecular formula C7H5BrINO2 and a molecular weight of 341.93 g/mol. Its IUPAC name is methyl 5-bromo-2-iodopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-iodopyridine-3-carboxylate
PubChem CID133062005
Molecular FormulaC7H5BrINO2
Molecular Weight341.93 g/mol
Exact Mass340.85
IUPAC Namemethyl 5-bromo-2-iodopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1I
InChIInChI=1S/C7H5BrINO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChIKeyZFRKLXSQBYKLFV-UHFFFAOYSA-N
XLogP2.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368
methyl 6-bromo-4-iodopyridine-3-carboxylate
CID 86674963
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
methyl 5-bromo-2-[(E)-dimethylaminomethylideneamino]pyridine-3-carboxylate
CID 118225142
methyl 5-bromo-2-hydroxy-3-iodobenzoate
CID 3613951
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 3-amino-5-bromo-2-iodobenzoate
CID 63022282

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-iodopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-2-iodopyridine-3-carboxylate (CID 133062005) is methyl 5-bromo-2-iodopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-iodopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-2-iodopyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1I.
What is the InChIKey of methyl 5-bromo-2-iodopyridine-3-carboxylate?
The InChIKey is ZFRKLXSQBYKLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrINO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3.
What are the key properties of methyl 5-bromo-2-iodopyridine-3-carboxylate?
methyl 5-bromo-2-iodopyridine-3-carboxylate has a molecular weight of 341.93 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-iodopyridine-3-carboxylate is sourced from PubChem (CID 133062005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).