2,6-dichloro-1-oxidopyridin-1-ium

C5H3Cl2NO — CID 817673

IUPAC2,6-dichloro-1-oxidopyridin-1-ium
SMILES[O-][n+]1c(Cl)cccc1Cl
InChIInChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
InChIKeyRFOMGVDPYLWLOC-UHFFFAOYSA-N
MW163.99 g/mol
LogP1.63
Rot. Bonds

About 2,6-dichloro-1-oxidopyridin-1-ium

2,6-dichloro-1-oxidopyridin-1-ium (PubChem CID 817673) has the molecular formula C5H3Cl2NO and a molecular weight of 163.99 g/mol. Its IUPAC name is 2,6-dichloro-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name2,6-dichloro-1-oxidopyridin-1-ium
PubChem CID817673
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99 g/mol
Exact Mass162.96
IUPAC Name2,6-dichloro-1-oxidopyridin-1-ium
SMILES[O-][n+]1c(Cl)cccc1Cl
InChIInChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
InChIKeyRFOMGVDPYLWLOC-UHFFFAOYSA-N
XLogP1.63
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-oxidopyridin-1-ium?
The IUPAC name of 2,6-dichloro-1-oxidopyridin-1-ium (CID 817673) is 2,6-dichloro-1-oxidopyridin-1-ium.
What is the SMILES notation for 2,6-dichloro-1-oxidopyridin-1-ium?
The canonical SMILES for 2,6-dichloro-1-oxidopyridin-1-ium is [O-][n+]1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-1-oxidopyridin-1-ium?
The InChIKey is RFOMGVDPYLWLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H.
What are the key properties of 2,6-dichloro-1-oxidopyridin-1-ium?
2,6-dichloro-1-oxidopyridin-1-ium has a molecular weight of 163.99 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-oxidopyridin-1-ium is sourced from PubChem (CID 817673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).