6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one

C10H13ClN2O2 — CID 3693167

IUPAC6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)ccc1CN1CCOCC1
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-8(10(14)12-9)7-13-3-5-15-6-4-13/h1-2H,3-7H2,(H,12,14)
InChIKeyRDJMECNUJKFYPG-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.86
Rot. Bonds2

About 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one

6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 3693167) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID3693167
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)ccc1CN1CCOCC1
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-8(10(14)12-9)7-13-3-5-15-6-4-13/h1-2H,3-7H2,(H,12,14)
InChIKeyRDJMECNUJKFYPG-UHFFFAOYSA-N
XLogP0.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.86
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 3693167) is 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one is O=c1[nH]c(Cl)ccc1CN1CCOCC1.
What is the InChIKey of 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is RDJMECNUJKFYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-2-1-8(10(14)12-9)7-13-3-5-15-6-4-13/h1-2H,3-7H2,(H,12,14).
What are the key properties of 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 228.68 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 3693167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).