ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate

C11H15BrN2O3 — CID 10870395

IUPACethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)c(NC)nc1OCC
InChIInChI=1S/C11H15BrN2O3/c1-4-16-10-7(11(15)17-5-2)6-8(12)9(13-3)14-10/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFLZCRIBIICOQKE-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.46
Rot. Bonds5

About ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate

ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate (PubChem CID 10870395) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate
PubChem CID10870395
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Nameethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)c(NC)nc1OCC
InChIInChI=1S/C11H15BrN2O3/c1-4-16-10-7(11(15)17-5-2)6-8(12)9(13-3)14-10/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFLZCRIBIICOQKE-UHFFFAOYSA-N
XLogP2.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
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CID 156537860
ethyl 4-acetamido-5-bromo-2-ethoxybenzoate
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ethyl 2,5-dibromo-4-fluorobenzoate
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CID 79018456
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
2-O-tert-butyl 1-O-ethyl 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502195
1-O-ethyl 2-O-(2-methylpropyl) 4-bromo-5-methylbenzene-1,2-dicarboxylate
CID 69118928

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate (CID 10870395) is ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(Br)c(NC)nc1OCC.
What is the InChIKey of ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate?
The InChIKey is FLZCRIBIICOQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-4-16-10-7(11(15)17-5-2)6-8(12)9(13-3)14-10/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate?
ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate has a molecular weight of 303.16 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 10870395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).