methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate

C13H11BrN2O3 — CID 114408445

IUPACmethyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)11-7-6-10(15)12(16-11)19-9-4-2-8(14)3-5-9/h2-7H,15H2,1H3
InChIKeyHYBXKLIFJDGWSF-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.01
Rot. Bonds3

About methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate

methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate (PubChem CID 114408445) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
PubChem CID114408445
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Namemethyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)11-7-6-10(15)12(16-11)19-9-4-2-8(14)3-5-9/h2-7H,15H2,1H3
InChIKeyHYBXKLIFJDGWSF-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

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Related Compounds

methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
CID 114409015
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408812
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate
CID 178091135
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409176
methyl 5-amino-6-(4-methylpentan-2-yloxy)pyridine-2-carboxylate
CID 114408539
5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
CID 114409213
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate (CID 114408445) is methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Oc2ccc(Br)cc2)n1.
What is the InChIKey of methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate?
The InChIKey is HYBXKLIFJDGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-13(17)11-7-6-10(15)12(16-11)19-9-4-2-8(14)3-5-9/h2-7H,15H2,1H3.
What are the key properties of methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate?
methyl 5-amino-6-(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 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 114408445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).