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

C6H3ClN2O2 — CID 82338154

IUPAC6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2o1
InChIInChI=1S/C6H3ClN2O2/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyQDDVPDBGKQAWCJ-UHFFFAOYSA-N
MW170.56 g/mol
LogP1.17
Rot. Bonds

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

6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 82338154) has the molecular formula C6H3ClN2O2 and a molecular weight of 170.56 g/mol. Its IUPAC name is 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID82338154
Molecular FormulaC6H3ClN2O2
Molecular Weight170.56 g/mol
Exact Mass169.99
IUPAC Name6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2o1
InChIInChI=1S/C6H3ClN2O2/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyQDDVPDBGKQAWCJ-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 82338154) is 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1[nH]c2cc(Cl)cnc2o1.
What is the InChIKey of 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is QDDVPDBGKQAWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10).
What are the key properties of 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-chloro-1H-[1,3]oxazolo[5,4-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 6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 82338154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).