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

C14H13BrN2O3 — CID 107285352

IUPACmethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cc(Br)ccc2C)c1N
InChIInChI=1S/C14H13BrN2O3/c1-8-3-4-9(15)7-11(8)20-13-12(16)10(5-6-17-13)14(18)19-2/h3-7H,16H2,1-2H3
InChIKeyBCOVYLOZCBQBAY-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.31
Rot. Bonds3

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

methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate (PubChem CID 107285352) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
PubChem CID107285352
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Namemethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cc(Br)ccc2C)c1N
InChIInChI=1S/C14H13BrN2O3/c1-8-3-4-9(15)7-11(8)20-13-12(16)10(5-6-17-13)14(18)19-2/h3-7H,16H2,1-2H3
InChIKeyBCOVYLOZCBQBAY-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

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Related Compounds

ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
methyl 3-amino-2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylate
CID 81346232
methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
CID 107713848
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide
CID 114195729
methyl 5-amino-2-(4-bromo-2-methylphenoxy)benzoate
CID 63217059
1-[2-(5-bromo-2-methylphenoxy)-4-pyridinyl]ethanone
CID 107284744
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79843451
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate (CID 107285352) is methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate is COC(=O)c1ccnc(Oc2cc(Br)ccc2C)c1N.
What is the InChIKey of methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
The InChIKey is BCOVYLOZCBQBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-3-4-9(15)7-11(8)20-13-12(16)10(5-6-17-13)14(18)19-2/h3-7H,16H2,1-2H3.
What are the key properties of methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate?
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-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 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 107285352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).