ethyl 3,6-dibromopyridine-2-carboxylate

C8H7Br2NO2 — CID 46311333

IUPACethyl 3,6-dibromopyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)ccc1Br
InChIInChI=1S/C8H7Br2NO2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3
InChIKeyFIFJOCLGVVDZFW-UHFFFAOYSA-N
MW308.96 g/mol
LogP2.78
Rot. Bonds2

About ethyl 3,6-dibromopyridine-2-carboxylate

ethyl 3,6-dibromopyridine-2-carboxylate (PubChem CID 46311333) has the molecular formula C8H7Br2NO2 and a molecular weight of 308.96 g/mol. Its IUPAC name is ethyl 3,6-dibromopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dibromopyridine-2-carboxylate
PubChem CID46311333
Molecular FormulaC8H7Br2NO2
Molecular Weight308.96 g/mol
Exact Mass306.88
IUPAC Nameethyl 3,6-dibromopyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)ccc1Br
InChIInChI=1S/C8H7Br2NO2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3
InChIKeyFIFJOCLGVVDZFW-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.96
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-acetamido-6-bromopyridine-2-carboxylate
CID 90044467
ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate
CID 122609586
ethyl 6-bromo-3-(3-methoxypropyl)pyridine-2-carboxylate
CID 158310028
ethyl 6-bromo-3-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate
CID 90044112
ethyl 6-bromo-3-(2-methylpropylamino)pyridine-2-carboxylate
CID 162369553
ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436
ethyl 3-bromo-6-(pent-3-ynylamino)pyridine-2-carboxylate
CID 155593753
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
ethyl 3-bromo-6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylate
CID 126820971
3,6-dibromopyridine-2-carbonyl iodide
CID 129069196

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dibromopyridine-2-carboxylate?
The IUPAC name of ethyl 3,6-dibromopyridine-2-carboxylate (CID 46311333) is ethyl 3,6-dibromopyridine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-dibromopyridine-2-carboxylate?
The canonical SMILES for ethyl 3,6-dibromopyridine-2-carboxylate is CCOC(=O)c1nc(Br)ccc1Br.
What is the InChIKey of ethyl 3,6-dibromopyridine-2-carboxylate?
The InChIKey is FIFJOCLGVVDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 3,6-dibromopyridine-2-carboxylate?
ethyl 3,6-dibromopyridine-2-carboxylate has a molecular weight of 308.96 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dibromopyridine-2-carboxylate is sourced from PubChem (CID 46311333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).