2-ethenylpyridine;hydrate

C7H9NO — CID 67843107

IUPAC2-ethenylpyridine;hydrate
SMILESC=Cc1ccccn1.O
InChIInChI=1S/C7H7N.H2O/c1-2-7-5-3-4-6-8-7;/h2-6H,1H2;1H2
InChIKeyHXEARCOLWPOOFJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.90
Rot. Bonds1

About 2-ethenylpyridine;hydrate

2-ethenylpyridine;hydrate (PubChem CID 67843107) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-ethenylpyridine;hydrate.

Molecular Properties

Compound Name2-ethenylpyridine;hydrate
PubChem CID67843107
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-ethenylpyridine;hydrate
SMILESC=Cc1ccccn1.O
InChIInChI=1S/C7H7N.H2O/c1-2-7-5-3-4-6-8-7;/h2-6H,1H2;1H2
InChIKeyHXEARCOLWPOOFJ-UHFFFAOYSA-N
XLogP0.90
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyridine;hydrate?
The IUPAC name of 2-ethenylpyridine;hydrate (CID 67843107) is 2-ethenylpyridine;hydrate.
What is the SMILES notation for 2-ethenylpyridine;hydrate?
The canonical SMILES for 2-ethenylpyridine;hydrate is C=Cc1ccccn1.O.
What is the InChIKey of 2-ethenylpyridine;hydrate?
The InChIKey is HXEARCOLWPOOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.H2O/c1-2-7-5-3-4-6-8-7;/h2-6H,1H2;1H2.
What are the key properties of 2-ethenylpyridine;hydrate?
2-ethenylpyridine;hydrate has a molecular weight of 123.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;hydrate is sourced from PubChem (CID 67843107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).