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

C9H7BrN2O2S — CID 142582005

IUPACmethyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(C)c2nc(Br)sc2n1
InChIInChI=1S/C9H7BrN2O2S/c1-4-3-5(8(13)14-2)11-7-6(4)12-9(10)15-7/h3H,1-2H3
InChIKeyKGPAVBJIBZLWLL-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.55
Rot. Bonds1

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

methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 142582005) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
PubChem CID142582005
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Namemethyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(C)c2nc(Br)sc2n1
InChIInChI=1S/C9H7BrN2O2S/c1-4-3-5(8(13)14-2)11-7-6(4)12-9(10)15-7/h3H,1-2H3
InChIKeyKGPAVBJIBZLWLL-UHFFFAOYSA-N
XLogP2.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
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CID 52988070
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
CID 130210234
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
methyl 6-formyl-2-methylpyrimidine-4-carboxylate
CID 144869326
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
CID 6461919

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate (CID 142582005) is methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate is COC(=O)c1cc(C)c2nc(Br)sc2n1.
What is the InChIKey of methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is KGPAVBJIBZLWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-4-3-5(8(13)14-2)11-7-6(4)12-9(10)15-7/h3H,1-2H3.
What are the key properties of methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate?
methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 287.14 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 142582005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).