6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

C7H5BrN2O2 — CID 121349149

IUPAC6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCc1c(Br)cnc2oc(=O)[nH]c12
InChIInChI=1S/C7H5BrN2O2/c1-3-4(8)2-9-6-5(3)10-7(11)12-6/h2H,1H3,(H,10,11)
InChIKeyQTBPDOIASNBTCI-UHFFFAOYSA-N
MW229.03 g/mol
LogP1.59
Rot. Bonds

About 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 121349149) has the molecular formula C7H5BrN2O2 and a molecular weight of 229.03 g/mol. Its IUPAC name is 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID121349149
Molecular FormulaC7H5BrN2O2
Molecular Weight229.03 g/mol
Exact Mass227.95
IUPAC Name6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCc1c(Br)cnc2oc(=O)[nH]c12
InChIInChI=1S/C7H5BrN2O2/c1-3-4(8)2-9-6-5(3)10-7(11)12-6/h2H,1H3,(H,10,11)
InChIKeyQTBPDOIASNBTCI-UHFFFAOYSA-N
XLogP1.59
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.03
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 121349149) is 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is Cc1c(Br)cnc2oc(=O)[nH]c12.
What is the InChIKey of 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is QTBPDOIASNBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2/c1-3-4(8)2-9-6-5(3)10-7(11)12-6/h2H,1H3,(H,10,11).
What are the key properties of 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 229.03 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 121349149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).