ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate

C15H15BrN2O3 — CID 107285351

IUPACethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cc(Br)ccc2C)c1N
InChIInChI=1S/C15H15BrN2O3/c1-3-20-15(19)11-6-7-18-14(13(11)17)21-12-8-10(16)5-4-9(12)2/h4-8H,3,17H2,1-2H3
InChIKeyRYBIIFJKBOMAFM-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.70
Rot. Bonds4

About ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate

ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate (PubChem CID 107285351) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
PubChem CID107285351
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Nameethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cc(Br)ccc2C)c1N
InChIInChI=1S/C15H15BrN2O3/c1-3-20-15(19)11-6-7-18-14(13(11)17)21-12-8-10(16)5-4-9(12)2/h4-8H,3,17H2,1-2H3
InChIKeyRYBIIFJKBOMAFM-UHFFFAOYSA-N
XLogP3.70
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
ethyl 2-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982941
2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide
CID 114195729
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate (CID 107285351) is ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2cc(Br)ccc2C)c1N.
What is the InChIKey of ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
The InChIKey is RYBIIFJKBOMAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-3-20-15(19)11-6-7-18-14(13(11)17)21-12-8-10(16)5-4-9(12)2/h4-8H,3,17H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate has a molecular weight of 351.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 107285351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).