(2-chloro-3-pyridinyl)-morpholin-4-ylmethanone

C10H11ClN2O2 — CID 2063428

IUPAC(2-chloro-3-pyridinyl)-morpholin-4-ylmethanone
SMILESO=C(c1cccnc1Cl)N1CCOCC1
InChIInChI=1S/C10H11ClN2O2/c11-9-8(2-1-3-12-9)10(14)13-4-6-15-7-5-13/h1-3H,4-7H2
InChIKeySPSWDQBZCCVHNI-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.21
Rot. Bonds1

About (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone

(2-chloro-3-pyridinyl)-morpholin-4-ylmethanone (PubChem CID 2063428) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-morpholin-4-ylmethanone
PubChem CID2063428
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(2-chloro-3-pyridinyl)-morpholin-4-ylmethanone
SMILESO=C(c1cccnc1Cl)N1CCOCC1
InChIInChI=1S/C10H11ClN2O2/c11-9-8(2-1-3-12-9)10(14)13-4-6-15-7-5-13/h1-3H,4-7H2
InChIKeySPSWDQBZCCVHNI-UHFFFAOYSA-N
XLogP1.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.21
H-Bond Donors ≤ 50
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 (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone (CID 2063428) is (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone is O=C(c1cccnc1Cl)N1CCOCC1.
What is the InChIKey of (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone?
The InChIKey is SPSWDQBZCCVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-8(2-1-3-12-9)10(14)13-4-6-15-7-5-13/h1-3H,4-7H2.
What are the key properties of (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone?
(2-chloro-3-pyridinyl)-morpholin-4-ylmethanone has a molecular weight of 226.66 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2063428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).