methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate

C14H13BrN2O3 — CID 79843451

IUPACmethyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C14H13BrN2O3/c1-8-6-9(15)7-11(16)12(8)20-13-10(14(18)19-2)4-3-5-17-13/h3-7H,16H2,1-2H3
InChIKeyVBZPKDQNPLLMRA-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate

methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate (PubChem CID 79843451) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
PubChem CID79843451
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Namemethyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C14H13BrN2O3/c1-8-6-9(15)7-11(16)12(8)20-13-10(14(18)19-2)4-3-5-17-13/h3-7H,16H2,1-2H3
InChIKeyVBZPKDQNPLLMRA-UHFFFAOYSA-N
XLogP3.31
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.31
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

5-bromo-2-[(3-chloro-2-pyridinyl)oxy]-3-methylaniline
CID 79842800
methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
CID 65471386
methyl 2-methylpyridine-3-carboxylate
CID 7015327
ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79844299

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate (CID 79843451) is methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate is COC(=O)c1cccnc1Oc1c(C)cc(Br)cc1N.
What is the InChIKey of methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
The InChIKey is VBZPKDQNPLLMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-6-9(15)7-11(16)12(8)20-13-10(14(18)19-2)4-3-5-17-13/h3-7H,16H2,1-2H3.
What are the key properties of methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate has a molecular weight of 337.17 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 79843451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).