4-(1-pyridin-4-yloxyprop-2-enyl)pyridine

C13H12N2O — CID 91146300

IUPAC4-(1-pyridin-4-yloxyprop-2-enyl)pyridine
SMILESC=CC(Oc1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N2O/c1-2-13(11-3-7-14-8-4-11)16-12-5-9-15-10-6-12/h2-10,13H,1H2
InChIKeyKFEOPTKFZYIALV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.78
Rot. Bonds4

About 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine

4-(1-pyridin-4-yloxyprop-2-enyl)pyridine (PubChem CID 91146300) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine.

Molecular Properties

Compound Name4-(1-pyridin-4-yloxyprop-2-enyl)pyridine
PubChem CID91146300
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-(1-pyridin-4-yloxyprop-2-enyl)pyridine
SMILESC=CC(Oc1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N2O/c1-2-13(11-3-7-14-8-4-11)16-12-5-9-15-10-6-12/h2-10,13H,1H2
InChIKeyKFEOPTKFZYIALV-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxyprop-2-enylbenzene
CID 11735962
1-pyridin-4-ylprop-2-en-1-amine
CID 55293732
4-propan-2-yloxypyridine
CID 4527576
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
4-(3-phenoxybutan-2-yl)pyridine
CID 91015504
1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol
CID 139881330
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
1-methoxyprop-2-enylbenzene
CID 11029990
1-chloroprop-2-enoxybenzene
CID 23328786
N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
CID 68584569
4-(6-methylhept-1-en-3-yl)pyridine
CID 166775888
1-ethenylperoxyprop-2-enylbenzene
CID 88766923

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine?
The IUPAC name of 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine (CID 91146300) is 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine.
What is the SMILES notation for 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine?
The canonical SMILES for 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine is C=CC(Oc1ccncc1)c1ccncc1.
What is the InChIKey of 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine?
The InChIKey is KFEOPTKFZYIALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-13(11-3-7-14-8-4-11)16-12-5-9-15-10-6-12/h2-10,13H,1H2.
What are the key properties of 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine?
4-(1-pyridin-4-yloxyprop-2-enyl)pyridine has a molecular weight of 212.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-4-yloxyprop-2-enyl)pyridine is sourced from PubChem (CID 91146300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).