(3-ethenyl-2-pyridinyl)-oxidoazanium

C7H8N2O — CID 22328570

IUPAC(3-ethenyl-2-pyridinyl)-oxidoazanium
SMILESC=Cc1cccnc1[NH2+][O-]
InChIInChI=1S/C7H8N2O/c1-2-6-4-3-5-8-7(6)9-10/h2-5H,1,9H2
InChIKeyGPVDWXCRBGZCDW-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.42
Rot. Bonds2

About (3-ethenyl-2-pyridinyl)-oxidoazanium

(3-ethenyl-2-pyridinyl)-oxidoazanium (PubChem CID 22328570) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (3-ethenyl-2-pyridinyl)-oxidoazanium.

Molecular Properties

Compound Name(3-ethenyl-2-pyridinyl)-oxidoazanium
PubChem CID22328570
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(3-ethenyl-2-pyridinyl)-oxidoazanium
SMILESC=Cc1cccnc1[NH2+][O-]
InChIInChI=1S/C7H8N2O/c1-2-6-4-3-5-8-7(6)9-10/h2-5H,1,9H2
InChIKeyGPVDWXCRBGZCDW-UHFFFAOYSA-N
XLogP0.42
TPSA52.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-2-pyridinyl)-oxidoazanium?
The IUPAC name of (3-ethenyl-2-pyridinyl)-oxidoazanium (CID 22328570) is (3-ethenyl-2-pyridinyl)-oxidoazanium.
What is the SMILES notation for (3-ethenyl-2-pyridinyl)-oxidoazanium?
The canonical SMILES for (3-ethenyl-2-pyridinyl)-oxidoazanium is C=Cc1cccnc1[NH2+][O-].
What is the InChIKey of (3-ethenyl-2-pyridinyl)-oxidoazanium?
The InChIKey is GPVDWXCRBGZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-4-3-5-8-7(6)9-10/h2-5H,1,9H2.
What are the key properties of (3-ethenyl-2-pyridinyl)-oxidoazanium?
(3-ethenyl-2-pyridinyl)-oxidoazanium has a molecular weight of 136.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-2-pyridinyl)-oxidoazanium is sourced from PubChem (CID 22328570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).