ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate

C9H7BrN2O3 — CID 67959264

IUPACethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ncc(Br)cc2o1
InChIInChI=1S/C9H7BrN2O3/c1-2-14-9(13)8-12-7-6(15-8)3-5(10)4-11-7/h3-4H,2H2,1H3
InChIKeyDLKODISTHUKHJT-UHFFFAOYSA-N
MW271.07 g/mol
LogP2.16
Rot. Bonds2

About ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate

ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate (PubChem CID 67959264) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
PubChem CID67959264
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Nameethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ncc(Br)cc2o1
InChIInChI=1S/C9H7BrN2O3/c1-2-14-9(13)8-12-7-6(15-8)3-5(10)4-11-7/h3-4H,2H2,1H3
InChIKeyDLKODISTHUKHJT-UHFFFAOYSA-N
XLogP2.16
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate
CID 177213860
ethyl 5-amino-1,3-benzoxazole-2-carboxylate
CID 118999769
ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate
CID 59353668
ethyl 4-[(3-bromophenyl)methyl]-5-methyl-1,3-oxazole-2-carboxylate
CID 86711486
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 1,3-oxazole-2-carboxylate
CID 18465927
ethyl 7-bromo-1,3-benzoxazole-2-carboxylate
CID 130133419
ethyl 5-[(3-bromophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate
CID 112619281
ethyl 5-(4-bromo-2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619311
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate (CID 67959264) is ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate is CCOC(=O)c1nc2ncc(Br)cc2o1.
What is the InChIKey of ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate?
The InChIKey is DLKODISTHUKHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c1-2-14-9(13)8-12-7-6(15-8)3-5(10)4-11-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate?
ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate has a molecular weight of 271.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 67959264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).