methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate

C13H10BrFN2O3 — CID 67227997

IUPACmethyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cc(N)ncc1Br
InChIInChI=1S/C13H10BrFN2O3/c1-19-13(18)8-3-2-7(15)4-10(8)20-11-5-12(16)17-6-9(11)14/h2-6H,1H3,(H2,16,17)
InChIKeyZCTMSPBOKSCKMY-UHFFFAOYSA-N
MW341.14 g/mol
LogP3.14
Rot. Bonds3

About methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate

methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate (PubChem CID 67227997) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate
PubChem CID67227997
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Namemethyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cc(N)ncc1Br
InChIInChI=1S/C13H10BrFN2O3/c1-19-13(18)8-3-2-7(15)4-10(8)20-11-5-12(16)17-6-9(11)14/h2-6H,1H3,(H2,16,17)
InChIKeyZCTMSPBOKSCKMY-UHFFFAOYSA-N
XLogP3.14
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate?
The IUPAC name of methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate (CID 67227997) is methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate is COC(=O)c1ccc(F)cc1Oc1cc(N)ncc1Br.
What is the InChIKey of methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate?
The InChIKey is ZCTMSPBOKSCKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c1-19-13(18)8-3-2-7(15)4-10(8)20-11-5-12(16)17-6-9(11)14/h2-6H,1H3,(H2,16,17).
What are the key properties of methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate?
methyl 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate has a molecular weight of 341.14 g/mol, XLogP of 3.14, 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-5-bromo-4-pyridinyl)oxy]-4-fluorobenzoate is sourced from PubChem (CID 67227997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).