(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone

C10H10Cl2N2O2 — CID 114918819

IUPAC(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CCCCO1
InChIInChI=1S/C10H10Cl2N2O2/c11-8-6-13-9(12)5-7(8)10(15)14-3-1-2-4-16-14/h5-6H,1-4H2
InChIKeyZVVXOAIKWIKNPA-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.56
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone

(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone (PubChem CID 114918819) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone
PubChem CID114918819
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CCCCO1
InChIInChI=1S/C10H10Cl2N2O2/c11-8-6-13-9(12)5-7(8)10(15)14-3-1-2-4-16-14/h5-6H,1-4H2
InChIKeyZVVXOAIKWIKNPA-UHFFFAOYSA-N
XLogP2.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.56
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 (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone (CID 114918819) is (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone is O=C(c1cc(Cl)ncc1Cl)N1CCCCO1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone?
The InChIKey is ZVVXOAIKWIKNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-8-6-13-9(12)5-7(8)10(15)14-3-1-2-4-16-14/h5-6H,1-4H2.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone?
(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone has a molecular weight of 261.11 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone is sourced from PubChem (CID 114918819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).