5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C6H3ClN2O2 — CID 84653939

IUPAC5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Cl)ccc2o1
InChIInChI=1S/C6H3ClN2O2/c7-4-2-1-3-5(8-4)9-6(10)11-3/h1-2H,(H,8,9,10)
InChIKeyMWEVAXVCXXDRJC-UHFFFAOYSA-N
MW170.56 g/mol
LogP1.17
Rot. Bonds

About 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 84653939) has the molecular formula C6H3ClN2O2 and a molecular weight of 170.56 g/mol. Its IUPAC name is 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID84653939
Molecular FormulaC6H3ClN2O2
Molecular Weight170.56 g/mol
Exact Mass169.99
IUPAC Name5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Cl)ccc2o1
InChIInChI=1S/C6H3ClN2O2/c7-4-2-1-3-5(8-4)9-6(10)11-3/h1-2H,(H,8,9,10)
InChIKeyMWEVAXVCXXDRJC-UHFFFAOYSA-N
XLogP1.17
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 51.17
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-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71710986
CID 67884406
CID 67884406
5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
CID 122697153
5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
CID 59526324
5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15557988
2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine
CID 84661804
3H-[1,3]oxazolo[4,5-d]pyrimidin-6-ium-2-one
CID 123991954
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
CID 61051650
7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one
CID 170566529
9-amino-1H-benzo[e][1,3]benzoxazol-2-one
CID 57163944
1,3-benzoxazine-2,4-dione;4-chloro-1,3-benzoxazin-2-one;deuterium monohydride
CID 162238236
5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 167775250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 84653939) is 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is MWEVAXVCXXDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2/c7-4-2-1-3-5(8-4)9-6(10)11-3/h1-2H,(H,8,9,10).
What are the key properties of 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 170.56 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 84653939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).