5-(4-chloro-3-pyridinyl)morpholin-3-one

C9H9ClN2O2 — CID 119085580

IUPAC5-(4-chloro-3-pyridinyl)morpholin-3-one
SMILESO=C1COCC(c2cnccc2Cl)N1
InChIInChI=1S/C9H9ClN2O2/c10-7-1-2-11-3-6(7)8-4-14-5-9(13)12-8/h1-3,8H,4-5H2,(H,12,13)
InChIKeyAIXBGBANURVCBM-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.92
Rot. Bonds1

About 5-(4-chloro-3-pyridinyl)morpholin-3-one

5-(4-chloro-3-pyridinyl)morpholin-3-one (PubChem CID 119085580) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 5-(4-chloro-3-pyridinyl)morpholin-3-one.

Molecular Properties

Compound Name5-(4-chloro-3-pyridinyl)morpholin-3-one
PubChem CID119085580
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name5-(4-chloro-3-pyridinyl)morpholin-3-one
SMILESO=C1COCC(c2cnccc2Cl)N1
InChIInChI=1S/C9H9ClN2O2/c10-7-1-2-11-3-6(7)8-4-14-5-9(13)12-8/h1-3,8H,4-5H2,(H,12,13)
InChIKeyAIXBGBANURVCBM-UHFFFAOYSA-N
XLogP0.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-pyridinyl)morpholin-3-one?
The IUPAC name of 5-(4-chloro-3-pyridinyl)morpholin-3-one (CID 119085580) is 5-(4-chloro-3-pyridinyl)morpholin-3-one.
What is the SMILES notation for 5-(4-chloro-3-pyridinyl)morpholin-3-one?
The canonical SMILES for 5-(4-chloro-3-pyridinyl)morpholin-3-one is O=C1COCC(c2cnccc2Cl)N1.
What is the InChIKey of 5-(4-chloro-3-pyridinyl)morpholin-3-one?
The InChIKey is AIXBGBANURVCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-1-2-11-3-6(7)8-4-14-5-9(13)12-8/h1-3,8H,4-5H2,(H,12,13).
What are the key properties of 5-(4-chloro-3-pyridinyl)morpholin-3-one?
5-(4-chloro-3-pyridinyl)morpholin-3-one has a molecular weight of 212.64 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-pyridinyl)morpholin-3-one is sourced from PubChem (CID 119085580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).