methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate

C12H10BrN3O3 — CID 114409015

IUPACmethyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2cncc(Br)c2)n1
InChIInChI=1S/C12H10BrN3O3/c1-18-12(17)10-3-2-9(14)11(16-10)19-8-4-7(13)5-15-6-8/h2-6H,14H2,1H3
InChIKeyGAWQJKRDDSSENY-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.40
Rot. Bonds3

About methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate

methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate (PubChem CID 114409015) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
PubChem CID114409015
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Namemethyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2cncc(Br)c2)n1
InChIInChI=1S/C12H10BrN3O3/c1-18-12(17)10-3-2-9(14)11(16-10)19-8-4-7(13)5-15-6-8/h2-6H,14H2,1H3
InChIKeyGAWQJKRDDSSENY-UHFFFAOYSA-N
XLogP2.40
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
methyl 6-[(5-bromo-3-pyridinyl)oxy]-5-nitropyridine-2-carboxylate
CID 114403292
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408812
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409176
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-(4-methylpentan-2-yloxy)pyridine-2-carboxylate
CID 114408539
methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate
CID 178091135

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate (CID 114409015) is methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Oc2cncc(Br)c2)n1.
What is the InChIKey of methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate?
The InChIKey is GAWQJKRDDSSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-18-12(17)10-3-2-9(14)11(16-10)19-8-4-7(13)5-15-6-8/h2-6H,14H2,1H3.
What are the key properties of methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate?
methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate has a molecular weight of 324.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate is sourced from PubChem (CID 114409015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).