methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate

C14H13BrN2O3 — CID 114408949

IUPACmethyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H13BrN2O3/c1-8-7-9(15)3-6-12(8)20-13-10(16)4-5-11(17-13)14(18)19-2/h3-7H,16H2,1-2H3
InChIKeyBZQOUCMSFBKJLH-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.31
Rot. Bonds3

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

methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate (PubChem CID 114408949) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
PubChem CID114408949
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Namemethyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H13BrN2O3/c1-8-7-9(15)3-6-12(8)20-13-10(16)4-5-11(17-13)14(18)19-2/h3-7H,16H2,1-2H3
InChIKeyBZQOUCMSFBKJLH-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

methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
CID 114409015
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 5-amino-2-(4-bromo-2-methylphenoxy)benzoate
CID 63217059
methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409176
methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408812
5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
CID 114409213
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
CID 66287690

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate (CID 114408949) is methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate?
The InChIKey is BZQOUCMSFBKJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-7-9(15)3-6-12(8)20-13-10(16)4-5-11(17-13)14(18)19-2/h3-7H,16H2,1-2H3.
What are the key properties of methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate?
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-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 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 114408949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).