ethyl 2-amino-5-bromopyridine-3-carboxylate

C8H9BrN2O2 — CID 18525957

IUPACethyl 2-amino-5-bromopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyQGADVECLXFPSOE-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.60
Rot. Bonds2

About ethyl 2-amino-5-bromopyridine-3-carboxylate

ethyl 2-amino-5-bromopyridine-3-carboxylate (PubChem CID 18525957) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is ethyl 2-amino-5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-bromopyridine-3-carboxylate
PubChem CID18525957
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Nameethyl 2-amino-5-bromopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyQGADVECLXFPSOE-UHFFFAOYSA-N
XLogP1.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-bromopyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-bromopyridine-3-carboxylate (CID 18525957) is ethyl 2-amino-5-bromopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-bromopyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-bromopyridine-3-carboxylate is CCOC(=O)c1cc(Br)cnc1N.
What is the InChIKey of ethyl 2-amino-5-bromopyridine-3-carboxylate?
The InChIKey is QGADVECLXFPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of ethyl 2-amino-5-bromopyridine-3-carboxylate?
ethyl 2-amino-5-bromopyridine-3-carboxylate has a molecular weight of 245.08 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-bromopyridine-3-carboxylate is sourced from PubChem (CID 18525957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).