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

C8H7BrN2O — CID 84690907

IUPAC7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCCc1nc2c(Br)ccnc2o1
InChIInChI=1S/C8H7BrN2O/c1-2-6-11-7-5(9)3-4-10-8(7)12-6/h3-4H,2H2,1H3
InChIKeyVMAYMPUUGNAFMB-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.55
Rot. Bonds1

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

7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 84690907) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID84690907
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCCc1nc2c(Br)ccnc2o1
InChIInChI=1S/C8H7BrN2O/c1-2-6-11-7-5(9)3-4-10-8(7)12-6/h3-4H,2H2,1H3
InChIKeyVMAYMPUUGNAFMB-UHFFFAOYSA-N
XLogP2.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
CID 84655980
6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
CID 82233934
5,8-dibromo-2,3-diethylquinoxaline
CID 68642538
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)methanamine
CID 84655982
7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
CID 84708458
7-bromo-2-ethyl-4-methoxy-1,3-benzoxazole;2-ethyl-4-methoxy-1,3-benzoxazole
CID 159907783
4,5,8-tribromoquinoline
CID 114764035
8-bromo-6-ethylquinoline
CID 19381206
8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70776074
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)methanamine
CID 84655981
dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole
CID 123546571
2-bromo-1-(2-ethyl-1,3-benzoxazol-4-yl)ethanone
CID 131465085

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine (CID 84690907) is 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine is CCc1nc2c(Br)ccnc2o1.
What is the InChIKey of 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is VMAYMPUUGNAFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-2-6-11-7-5(9)3-4-10-8(7)12-6/h3-4H,2H2,1H3.
What are the key properties of 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine?
7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 227.06 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 84690907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).