ethyl 6-bromo-5-chloropyridine-2-carboxylate

C8H7BrClNO2 — CID 46311447

IUPACethyl 6-bromo-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)c(Br)n1
InChIInChI=1S/C8H7BrClNO2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2H2,1H3
InChIKeyATNWVQHVLZPBKV-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.67
Rot. Bonds2

About ethyl 6-bromo-5-chloropyridine-2-carboxylate

ethyl 6-bromo-5-chloropyridine-2-carboxylate (PubChem CID 46311447) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is ethyl 6-bromo-5-chloropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5-chloropyridine-2-carboxylate
PubChem CID46311447
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Nameethyl 6-bromo-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)c(Br)n1
InChIInChI=1S/C8H7BrClNO2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2H2,1H3
InChIKeyATNWVQHVLZPBKV-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.67
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 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 5-bromo-6-oxo-1H-pyrazine-3-carboxylate
CID 117272850
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 6-[(4-bromophenyl)methyl]-5-(2-chlorophenyl)pyridine-2-carboxylate
CID 25194879
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
ethyl 1-bromo-2,7-naphthyridine-3-carboxylate
CID 71748439

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5-chloropyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-5-chloropyridine-2-carboxylate (CID 46311447) is ethyl 6-bromo-5-chloropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5-chloropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-5-chloropyridine-2-carboxylate is CCOC(=O)c1ccc(Cl)c(Br)n1.
What is the InChIKey of ethyl 6-bromo-5-chloropyridine-2-carboxylate?
The InChIKey is ATNWVQHVLZPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2H2,1H3.
What are the key properties of ethyl 6-bromo-5-chloropyridine-2-carboxylate?
ethyl 6-bromo-5-chloropyridine-2-carboxylate has a molecular weight of 264.51 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5-chloropyridine-2-carboxylate is sourced from PubChem (CID 46311447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).