ethyl 5-bromo-3-iodopyridine-2-carboxylate

C8H7BrINO2 — CID 133062271

IUPACethyl 5-bromo-3-iodopyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Br)cc1I
InChIInChI=1S/C8H7BrINO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKeyOCKWHAAVAQOSHS-UHFFFAOYSA-N
MW355.96 g/mol
LogP2.63
Rot. Bonds2

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

ethyl 5-bromo-3-iodopyridine-2-carboxylate (PubChem CID 133062271) has the molecular formula C8H7BrINO2 and a molecular weight of 355.96 g/mol. Its IUPAC name is ethyl 5-bromo-3-iodopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-3-iodopyridine-2-carboxylate
PubChem CID133062271
Molecular FormulaC8H7BrINO2
Molecular Weight355.96 g/mol
Exact Mass354.87
IUPAC Nameethyl 5-bromo-3-iodopyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Br)cc1I
InChIInChI=1S/C8H7BrINO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKeyOCKWHAAVAQOSHS-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133096652
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 2-bromo-5-iodo-1,3-thiazole-4-carboxylate
CID 91903053
ethyl 4-iodo-6-(trifluoromethyl)pyridazine-3-carboxylate
CID 118871954
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 3-bromo-5-iodo-4-methylbenzoate
CID 79884560
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737
ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
CID 67959264
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-3-iodopyridine-2-carboxylate?
The IUPAC name of ethyl 5-bromo-3-iodopyridine-2-carboxylate (CID 133062271) is ethyl 5-bromo-3-iodopyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-3-iodopyridine-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-3-iodopyridine-2-carboxylate is CCOC(=O)c1ncc(Br)cc1I.
What is the InChIKey of ethyl 5-bromo-3-iodopyridine-2-carboxylate?
The InChIKey is OCKWHAAVAQOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-bromo-3-iodopyridine-2-carboxylate?
ethyl 5-bromo-3-iodopyridine-2-carboxylate has a molecular weight of 355.96 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-3-iodopyridine-2-carboxylate is sourced from PubChem (CID 133062271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).