methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate

C13H11BrN2O3 — CID 66287690

IUPACmethyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc(Br)cc2N)ccn1
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)11-7-9(4-5-16-11)19-12-3-2-8(14)6-10(12)15/h2-7H,15H2,1H3
InChIKeyODGLUEVCBAMXEB-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.01
Rot. Bonds3

About methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate

methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate (PubChem CID 66287690) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
PubChem CID66287690
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Namemethyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc(Br)cc2N)ccn1
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)11-7-9(4-5-16-11)19-12-3-2-8(14)6-10(12)15/h2-7H,15H2,1H3
InChIKeyODGLUEVCBAMXEB-UHFFFAOYSA-N
XLogP3.01
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-amino-4-bromophenoxy)pyrimidine-2-carboxylate
CID 66287689
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
4-(5-bromo-2-methylphenoxy)-N-ethylpyridine-2-carboxamide
CID 107284547
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate (CID 66287690) is methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate is COC(=O)c1cc(Oc2ccc(Br)cc2N)ccn1.
What is the InChIKey of methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate?
The InChIKey is ODGLUEVCBAMXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-13(17)11-7-9(4-5-16-11)19-12-3-2-8(14)6-10(12)15/h2-7H,15H2,1H3.
What are the key properties of methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate?
methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate has a molecular weight of 323.15 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 66287690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).