ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate

C11H15BrN2O2 — CID 166990226

IUPACethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate
SMILESCCNc1cc(C)c(Br)nc1C(=O)OCC
InChIInChI=1S/C11H15BrN2O2/c1-4-13-8-6-7(3)10(12)14-9(8)11(15)16-5-2/h6,13H,4-5H2,1-3H3
InChIKeyFZNWXENYAXWEKI-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.76
Rot. Bonds4

About ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate

ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate (PubChem CID 166990226) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate
PubChem CID166990226
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nameethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate
SMILESCCNc1cc(C)c(Br)nc1C(=O)OCC
InChIInChI=1S/C11H15BrN2O2/c1-4-13-8-6-7(3)10(12)14-9(8)11(15)16-5-2/h6,13H,4-5H2,1-3H3
InChIKeyFZNWXENYAXWEKI-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate (CID 166990226) is ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate is CCNc1cc(C)c(Br)nc1C(=O)OCC.
What is the InChIKey of ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate?
The InChIKey is FZNWXENYAXWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-4-13-8-6-7(3)10(12)14-9(8)11(15)16-5-2/h6,13H,4-5H2,1-3H3.
What are the key properties of ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate?
ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate has a molecular weight of 287.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 166990226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).