ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate

C15H13BrN2O3 — CID 835923

IUPACethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-2-21-15(20)12-5-3-4-6-13(12)18-14(19)10-7-11(16)9-17-8-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHZOQOYSHTJZSII-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.27
Rot. Bonds4

About ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate

ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate (PubChem CID 835923) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
PubChem CID835923
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Nameethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-2-21-15(20)12-5-3-4-6-13(12)18-14(19)10-7-11(16)9-17-8-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHZOQOYSHTJZSII-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate (CID 835923) is ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
The InChIKey is HZOQOYSHTJZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-2-21-15(20)12-5-3-4-6-13(12)18-14(19)10-7-11(16)9-17-8-10/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate has a molecular weight of 349.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 835923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).