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

C6HCl3N2O2 — CID 15557988

IUPAC5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Cl)c(Cl)c(Cl)c2o1
InChIInChI=1S/C6HCl3N2O2/c7-1-2(8)4(9)10-5-3(1)13-6(12)11-5/h(H,10,11,12)
InChIKeyGQEWXGKGTVWTFW-UHFFFAOYSA-N
MW239.44 g/mol
LogP2.48
Rot. Bonds

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

5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 15557988) has the molecular formula C6HCl3N2O2 and a molecular weight of 239.44 g/mol. Its IUPAC name is 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID15557988
Molecular FormulaC6HCl3N2O2
Molecular Weight239.44 g/mol
Exact Mass237.91
IUPAC Name5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Cl)c(Cl)c(Cl)c2o1
InChIInChI=1S/C6HCl3N2O2/c7-1-2(8)4(9)10-5-3(1)13-6(12)11-5/h(H,10,11,12)
InChIKeyGQEWXGKGTVWTFW-UHFFFAOYSA-N
XLogP2.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 84653939
ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 143569330
5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one
CID 107663268
5-oxo-2,6-dihydropyrazolo[3,4-d][1,3]oxazole-3-carboxylic acid
CID 136922867
4,5-dichloro-2-methyl-1H-pyrimidin-6-one
CID 135621449
5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71710986
4-chloro-5-hydroxy-3H-1,3-oxazol-2-one
CID 69333997
7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one
CID 82230833
8-chloro-1,3-benzoxazine-2,4-dione
CID 11571962
5-chloro-7-(methylaminomethyl)-3H-1,3-benzoxazol-2-one
CID 83885886
6-amino-1,3,5-oxadiazine-2,4-dione
CID 22641208
5-bromo-7-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
CID 71757294

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 15557988) is 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(Cl)c(Cl)c(Cl)c2o1.
What is the InChIKey of 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is GQEWXGKGTVWTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2O2/c7-1-2(8)4(9)10-5-3(1)13-6(12)11-5/h(H,10,11,12).
What are the key properties of 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 239.44 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 15557988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).