ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

C9H7BrN2O2S — CID 68517105

IUPACethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccnc2nc(Br)sc12
InChIInChI=1S/C9H7BrN2O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3
InChIKeyMQKDUAHLDXECQS-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.63
Rot. Bonds2

About ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (PubChem CID 68517105) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
PubChem CID68517105
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Nameethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccnc2nc(Br)sc12
InChIInChI=1S/C9H7BrN2O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3
InChIKeyMQKDUAHLDXECQS-UHFFFAOYSA-N
XLogP2.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (CID 68517105) is ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is CCOC(=O)c1ccnc2nc(Br)sc12.
What is the InChIKey of ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The InChIKey is MQKDUAHLDXECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate has a molecular weight of 287.14 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 68517105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).