2-ethenylbenzaldehyde;pyridine

C14H13NO — CID 175039839

IUPAC2-ethenylbenzaldehyde;pyridine
SMILESC=Cc1ccccc1C=O.c1ccncc1
InChIInChI=1S/C9H8O.C5H5N/c1-2-8-5-3-4-6-9(8)7-10;1-2-4-6-5-3-1/h2-7H,1H2;1-5H
InChIKeyFOJZFFJQGCAMRB-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.22
Rot. Bonds2

About 2-ethenylbenzaldehyde;pyridine

2-ethenylbenzaldehyde;pyridine (PubChem CID 175039839) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethenylbenzaldehyde;pyridine.

Molecular Properties

Compound Name2-ethenylbenzaldehyde;pyridine
PubChem CID175039839
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-ethenylbenzaldehyde;pyridine
SMILESC=Cc1ccccc1C=O.c1ccncc1
InChIInChI=1S/C9H8O.C5H5N/c1-2-8-5-3-4-6-9(8)7-10;1-2-4-6-5-3-1/h2-7H,1H2;1-5H
InChIKeyFOJZFFJQGCAMRB-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylbenzaldehyde;pyridine?
The IUPAC name of 2-ethenylbenzaldehyde;pyridine (CID 175039839) is 2-ethenylbenzaldehyde;pyridine.
What is the SMILES notation for 2-ethenylbenzaldehyde;pyridine?
The canonical SMILES for 2-ethenylbenzaldehyde;pyridine is C=Cc1ccccc1C=O.c1ccncc1.
What is the InChIKey of 2-ethenylbenzaldehyde;pyridine?
The InChIKey is FOJZFFJQGCAMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C5H5N/c1-2-8-5-3-4-6-9(8)7-10;1-2-4-6-5-3-1/h2-7H,1H2;1-5H.
What are the key properties of 2-ethenylbenzaldehyde;pyridine?
2-ethenylbenzaldehyde;pyridine has a molecular weight of 211.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylbenzaldehyde;pyridine is sourced from PubChem (CID 175039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).