4-ethenylpyridine;nitrous acid

C7H8N2O2 — CID 174851226

IUPAC4-ethenylpyridine;nitrous acid
SMILESC=Cc1ccncc1.O=NO
InChIInChI=1S/C7H7N.HNO2/c1-2-7-3-5-8-6-4-7;2-1-3/h2-6H,1H2;(H,2,3)
InChIKeyZCTPBBZUGUSXAX-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.87
Rot. Bonds1

About 4-ethenylpyridine;nitrous acid

4-ethenylpyridine;nitrous acid (PubChem CID 174851226) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-ethenylpyridine;nitrous acid.

Molecular Properties

Compound Name4-ethenylpyridine;nitrous acid
PubChem CID174851226
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-ethenylpyridine;nitrous acid
SMILESC=Cc1ccncc1.O=NO
InChIInChI=1S/C7H7N.HNO2/c1-2-7-3-5-8-6-4-7;2-1-3/h2-6H,1H2;(H,2,3)
InChIKeyZCTPBBZUGUSXAX-UHFFFAOYSA-N
XLogP1.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenylpyridine;nitroxyl
CID 157255604
4-ethenylpyridine;trihydrobromide
CID 67161394
benzene;bis(4-ethenylpyridine)
CID 175139970
4-ethenylpyridine;2-hydroxypropanoate
CID 21427738
4-ethenylpyridine;2-[(2-hydroxyphenyl)diazenyl]phenol;platinum
CID 135723126
4-ethenylpyridine;ethyl carbamate
CID 174889684
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
2-(dimethylamino)propanoic acid;4-ethenylpyridine
CID 174623561
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
1-ethenyl-2-ethylbenzene;4-ethenylpyridine
CID 175575615
pyridine;styrene;hydrochloride
CID 173443954
pyridine;styrene;sulfane
CID 174934116

Frequently Asked Questions

What is the IUPAC name of 4-ethenylpyridine;nitrous acid?
The IUPAC name of 4-ethenylpyridine;nitrous acid (CID 174851226) is 4-ethenylpyridine;nitrous acid.
What is the SMILES notation for 4-ethenylpyridine;nitrous acid?
The canonical SMILES for 4-ethenylpyridine;nitrous acid is C=Cc1ccncc1.O=NO.
What is the InChIKey of 4-ethenylpyridine;nitrous acid?
The InChIKey is ZCTPBBZUGUSXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.HNO2/c1-2-7-3-5-8-6-4-7;2-1-3/h2-6H,1H2;(H,2,3).
What are the key properties of 4-ethenylpyridine;nitrous acid?
4-ethenylpyridine;nitrous acid has a molecular weight of 152.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpyridine;nitrous acid is sourced from PubChem (CID 174851226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).