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

C15H15BrN2O3 — CID 79844299

IUPACethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2c(C)cc(Br)cc2N)nc1
InChIInChI=1S/C15H15BrN2O3/c1-3-20-15(19)10-4-5-13(18-8-10)21-14-9(2)6-11(16)7-12(14)17/h4-8H,3,17H2,1-2H3
InChIKeyKBOVVTRRLQDNQY-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.70
Rot. Bonds4

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

ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate (PubChem CID 79844299) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
PubChem CID79844299
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Nameethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2c(C)cc(Br)cc2N)nc1
InChIInChI=1S/C15H15BrN2O3/c1-3-20-15(19)10-4-5-13(18-8-10)21-14-9(2)6-11(16)7-12(14)17/h4-8H,3,17H2,1-2H3
InChIKeyKBOVVTRRLQDNQY-UHFFFAOYSA-N
XLogP3.70
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.70
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

ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline
CID 79843015
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
CID 79843874
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate (CID 79844299) is ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2c(C)cc(Br)cc2N)nc1.
What is the InChIKey of ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
The InChIKey is KBOVVTRRLQDNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-3-20-15(19)10-4-5-13(18-8-10)21-14-9(2)6-11(16)7-12(14)17/h4-8H,3,17H2,1-2H3.
What are the key properties of ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate?
ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate has a molecular weight of 351.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 79844299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).