2-chloro-1-oxidopyridin-1-ium;molecular nitrogen

C5H4ClN3O — CID 174754604

IUPAC2-chloro-1-oxidopyridin-1-ium;molecular nitrogen
SMILESN#N.[O-][n+]1ccccc1Cl
InChIInChI=1S/C5H4ClNO.N2/c6-5-3-1-2-4-7(5)8;1-2/h1-4H;
InChIKeyZGTLIZVGPKBGPC-UHFFFAOYSA-N
MW157.56 g/mol
LogP1.00
Rot. Bonds

About 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen

2-chloro-1-oxidopyridin-1-ium;molecular nitrogen (PubChem CID 174754604) has the molecular formula C5H4ClN3O and a molecular weight of 157.56 g/mol. Its IUPAC name is 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen.

Molecular Properties

Compound Name2-chloro-1-oxidopyridin-1-ium;molecular nitrogen
PubChem CID174754604
Molecular FormulaC5H4ClN3O
Molecular Weight157.56 g/mol
Exact Mass157.00
IUPAC Name2-chloro-1-oxidopyridin-1-ium;molecular nitrogen
SMILESN#N.[O-][n+]1ccccc1Cl
InChIInChI=1S/C5H4ClNO.N2/c6-5-3-1-2-4-7(5)8;1-2/h1-4H;
InChIKeyZGTLIZVGPKBGPC-UHFFFAOYSA-N
XLogP1.00
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', '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-chloro-1-oxidopyridin-1-ium;molecular nitrogen?
The IUPAC name of 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen (CID 174754604) is 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen.
What is the SMILES notation for 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen?
The canonical SMILES for 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen is N#N.[O-][n+]1ccccc1Cl.
What is the InChIKey of 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen?
The InChIKey is ZGTLIZVGPKBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO.N2/c6-5-3-1-2-4-7(5)8;1-2/h1-4H;.
What are the key properties of 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen?
2-chloro-1-oxidopyridin-1-ium;molecular nitrogen has a molecular weight of 157.56 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-oxidopyridin-1-ium;molecular nitrogen is sourced from PubChem (CID 174754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).