methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate

C13H11BrN2O3 — CID 103011853

IUPACmethyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1cc(N)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)9-3-2-6-16-12(9)19-11-7-8(15)4-5-10(11)14/h2-7H,15H2,1H3
InChIKeyLXYYQJPXYDSWCC-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.01
Rot. Bonds3

About methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate

methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate (PubChem CID 103011853) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
PubChem CID103011853
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Namemethyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1cc(N)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)9-3-2-6-16-12(9)19-11-7-8(15)4-5-10(11)14/h2-7H,15H2,1H3
InChIKeyLXYYQJPXYDSWCC-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 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79843451
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
methyl 5-amino-2-(2-bromophenoxy)benzoate
CID 61305622
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
methyl 5-amino-2-(4-bromo-2,5-dichlorophenoxy)benzoate
CID 107659951
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
CID 66966592
methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
methyl 5-amino-2-[(2-methyl-3-pyridinyl)amino]benzoate
CID 79043332

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate (CID 103011853) is methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate is COC(=O)c1cccnc1Oc1cc(N)ccc1Br.
What is the InChIKey of methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate?
The InChIKey is LXYYQJPXYDSWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-13(17)9-3-2-6-16-12(9)19-11-7-8(15)4-5-10(11)14/h2-7H,15H2,1H3.
What are the key properties of methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate?
methyl 2-(5-amino-2-bromophenoxy)pyridine-3-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 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 103011853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).