ethyl 3-acetamido-6-bromopyridine-2-carboxylate

C10H11BrN2O3 — CID 90044467

IUPACethyl 3-acetamido-6-bromopyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)ccc1NC(C)=O
InChIInChI=1S/C10H11BrN2O3/c1-3-16-10(15)9-7(12-6(2)14)4-5-8(11)13-9/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyMVWJKRLORJYWSA-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.98
Rot. Bonds3

About ethyl 3-acetamido-6-bromopyridine-2-carboxylate

ethyl 3-acetamido-6-bromopyridine-2-carboxylate (PubChem CID 90044467) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is ethyl 3-acetamido-6-bromopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetamido-6-bromopyridine-2-carboxylate
PubChem CID90044467
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Nameethyl 3-acetamido-6-bromopyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)ccc1NC(C)=O
InChIInChI=1S/C10H11BrN2O3/c1-3-16-10(15)9-7(12-6(2)14)4-5-8(11)13-9/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyMVWJKRLORJYWSA-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.98
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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Related Compounds

ethyl 6-bromo-3-(2-methylpropylamino)pyridine-2-carboxylate
CID 162369553
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate
CID 178066359
ethyl 6-bromo-3-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate
CID 90044112
ethyl 6-bromo-3-(3-methoxypropyl)pyridine-2-carboxylate
CID 158310028
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436
3-acetamido-2-ethoxycarbonyl-6-methylbenzoic acid
CID 66793341
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate
CID 166990226
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
ethyl 6-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 164958293

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetamido-6-bromopyridine-2-carboxylate?
The IUPAC name of ethyl 3-acetamido-6-bromopyridine-2-carboxylate (CID 90044467) is ethyl 3-acetamido-6-bromopyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-acetamido-6-bromopyridine-2-carboxylate?
The canonical SMILES for ethyl 3-acetamido-6-bromopyridine-2-carboxylate is CCOC(=O)c1nc(Br)ccc1NC(C)=O.
What is the InChIKey of ethyl 3-acetamido-6-bromopyridine-2-carboxylate?
The InChIKey is MVWJKRLORJYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-3-16-10(15)9-7(12-6(2)14)4-5-8(11)13-9/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of ethyl 3-acetamido-6-bromopyridine-2-carboxylate?
ethyl 3-acetamido-6-bromopyridine-2-carboxylate has a molecular weight of 287.11 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetamido-6-bromopyridine-2-carboxylate is sourced from PubChem (CID 90044467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).