ethyl 6-bromopyridine-2-carboxylate

C8H8BrNO2 — CID 2758810

IUPACethyl 6-bromopyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(Br)n1
InChIInChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
InChIKeyOONBOXSIWCBAHZ-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.02
Rot. Bonds2

About ethyl 6-bromopyridine-2-carboxylate

ethyl 6-bromopyridine-2-carboxylate (PubChem CID 2758810) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is ethyl 6-bromopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromopyridine-2-carboxylate
PubChem CID2758810
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Nameethyl 6-bromopyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(Br)n1
InChIInChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
InChIKeyOONBOXSIWCBAHZ-UHFFFAOYSA-N
XLogP2.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.02
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-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
(6-bromo-2-pyridinyl)methanol;ethyl 6-bromopyridine-2-carboxylate
CID 162039254
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
methylsulfonyl 6-bromopyridine-2-carboxylate
CID 166518584
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
ethane;ethyl 6-(2-bromocyclopenten-1-yl)pyridine-2-carboxylate
CID 143033870
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromopyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromopyridine-2-carboxylate (CID 2758810) is ethyl 6-bromopyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromopyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromopyridine-2-carboxylate is CCOC(=O)c1cccc(Br)n1.
What is the InChIKey of ethyl 6-bromopyridine-2-carboxylate?
The InChIKey is OONBOXSIWCBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-bromopyridine-2-carboxylate?
ethyl 6-bromopyridine-2-carboxylate has a molecular weight of 230.06 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromopyridine-2-carboxylate is sourced from PubChem (CID 2758810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).