ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate

C10H10BrN3O3 — CID 50988009

IUPACethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21
InChIInChI=1S/C10H10BrN3O3/c1-2-17-8(15)5-14-9-7(13-10(14)16)3-6(11)4-12-9/h3-4H,2,5H2,1H3,(H,13,16)
InChIKeyRQDXDXZDTLPQLD-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.05
Rot. Bonds3

About ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate

ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate (PubChem CID 50988009) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate
PubChem CID50988009
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Nameethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21
InChIInChI=1S/C10H10BrN3O3/c1-2-17-8(15)5-14-9-7(13-10(14)16)3-6(11)4-12-9/h3-4H,2,5H2,1H3,(H,13,16)
InChIKeyRQDXDXZDTLPQLD-UHFFFAOYSA-N
XLogP1.05
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate (CID 50988009) is ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate is CCOC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21.
What is the InChIKey of ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
The InChIKey is RQDXDXZDTLPQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-2-17-8(15)5-14-9-7(13-10(14)16)3-6(11)4-12-9/h3-4H,2,5H2,1H3,(H,13,16).
What are the key properties of ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate has a molecular weight of 300.11 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate is sourced from PubChem (CID 50988009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).