4-ethenylpyridine;nitroxyl

C7H8N2O — CID 157255604

IUPAC4-ethenylpyridine;nitroxyl
SMILESC=Cc1ccncc1.N=O
InChIInChI=1S/C7H7N.HNO/c1-2-7-3-5-8-6-4-7;1-2/h2-6H,1H2;1H
InChIKeyBNHIXHAJDJMGDR-UHFFFAOYSA-N
MW136.15 g/mol
LogP2.06
Rot. Bonds1

About 4-ethenylpyridine;nitroxyl

4-ethenylpyridine;nitroxyl (PubChem CID 157255604) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-ethenylpyridine;nitroxyl.

Molecular Properties

Compound Name4-ethenylpyridine;nitroxyl
PubChem CID157255604
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4-ethenylpyridine;nitroxyl
SMILESC=Cc1ccncc1.N=O
InChIInChI=1S/C7H7N.HNO/c1-2-7-3-5-8-6-4-7;1-2/h2-6H,1H2;1H
InChIKeyBNHIXHAJDJMGDR-UHFFFAOYSA-N
XLogP2.06
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylpyridine;nitroxyl?
The IUPAC name of 4-ethenylpyridine;nitroxyl (CID 157255604) is 4-ethenylpyridine;nitroxyl.
What is the SMILES notation for 4-ethenylpyridine;nitroxyl?
The canonical SMILES for 4-ethenylpyridine;nitroxyl is C=Cc1ccncc1.N=O.
What is the InChIKey of 4-ethenylpyridine;nitroxyl?
The InChIKey is BNHIXHAJDJMGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.HNO/c1-2-7-3-5-8-6-4-7;1-2/h2-6H,1H2;1H.
What are the key properties of 4-ethenylpyridine;nitroxyl?
4-ethenylpyridine;nitroxyl has a molecular weight of 136.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpyridine;nitroxyl is sourced from PubChem (CID 157255604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).