methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate

C10H13BrN2O3 — CID 68754647

IUPACmethyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
SMILESCOCCNc1ncc(C(=O)OC)cc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-4-3-12-9-8(11)5-7(6-13-9)10(14)16-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyKXSRXMVTKMBJOU-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.69
Rot. Bonds5

About methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate

methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate (PubChem CID 68754647) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
PubChem CID68754647
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Namemethyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
SMILESCOCCNc1ncc(C(=O)OC)cc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-4-3-12-9-8(11)5-7(6-13-9)10(14)16-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyKXSRXMVTKMBJOU-UHFFFAOYSA-N
XLogP1.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
methyl 5-bromo-6-(ethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate
CID 138491332
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
CID 22581201
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate
CID 155787018
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
CID 159139030
CID 159139030

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate (CID 68754647) is methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate is COCCNc1ncc(C(=O)OC)cc1Br.
What is the InChIKey of methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate?
The InChIKey is KXSRXMVTKMBJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-4-3-12-9-8(11)5-7(6-13-9)10(14)16-2/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate?
methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate has a molecular weight of 289.13 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 68754647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).