tert-butyl 2-bromo-5-iodopyridine-3-carboxylate

C10H11BrINO2 — CID 133057059

IUPACtert-butyl 2-bromo-5-iodopyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(I)cnc1Br
InChIInChI=1S/C10H11BrINO2/c1-10(2,3)15-9(14)7-4-6(12)5-13-8(7)11/h4-5H,1-3H3
InChIKeyGOGGNMHEEARBKB-UHFFFAOYSA-N
MW384.01 g/mol
LogP3.40
Rot. Bonds1

About tert-butyl 2-bromo-5-iodopyridine-3-carboxylate

tert-butyl 2-bromo-5-iodopyridine-3-carboxylate (PubChem CID 133057059) has the molecular formula C10H11BrINO2 and a molecular weight of 384.01 g/mol. Its IUPAC name is tert-butyl 2-bromo-5-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-bromo-5-iodopyridine-3-carboxylate
PubChem CID133057059
Molecular FormulaC10H11BrINO2
Molecular Weight384.01 g/mol
Exact Mass382.90
IUPAC Nametert-butyl 2-bromo-5-iodopyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(I)cnc1Br
InChIInChI=1S/C10H11BrINO2/c1-10(2,3)15-9(14)7-4-6(12)5-13-8(7)11/h4-5H,1-3H3
InChIKeyGOGGNMHEEARBKB-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.01
LogP ≤ 53.40
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

1-(2-bromo-5-iodo-3-pyridinyl)ethanone
CID 133060718
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
tert-butyl 5-bromo-4-methylpyridine-2-carboxylate
CID 131612137
tert-butyl 5-hydroxy-3-iodopyridine-2-carboxylate
CID 133063899
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
4,5-dibromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid;ethane
CID 69126153
tert-butyl 5-amino-3-iodopyridine-2-carboxylate
CID 133060051
tert-butyl 3-bromo-2-deuterio-5-iodobenzoate
CID 87797451
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
tert-butyl 3,5-dibromo-2-hydroxybenzoate
CID 15931183
tert-butyl 5-(bromomethyl)-2-methoxypyridine-3-carboxylate
CID 176589847

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromo-5-iodopyridine-3-carboxylate?
The IUPAC name of tert-butyl 2-bromo-5-iodopyridine-3-carboxylate (CID 133057059) is tert-butyl 2-bromo-5-iodopyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-bromo-5-iodopyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2-bromo-5-iodopyridine-3-carboxylate is CC(C)(C)OC(=O)c1cc(I)cnc1Br.
What is the InChIKey of tert-butyl 2-bromo-5-iodopyridine-3-carboxylate?
The InChIKey is GOGGNMHEEARBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINO2/c1-10(2,3)15-9(14)7-4-6(12)5-13-8(7)11/h4-5H,1-3H3.
What are the key properties of tert-butyl 2-bromo-5-iodopyridine-3-carboxylate?
tert-butyl 2-bromo-5-iodopyridine-3-carboxylate has a molecular weight of 384.01 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-bromo-5-iodopyridine-3-carboxylate is sourced from PubChem (CID 133057059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).