(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one

C13H10N2O — CID 19553305

IUPAC(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1cccnc1
InChIInChI=1S/C13H10N2O/c16-13(11-4-3-8-14-10-11)7-6-12-5-1-2-9-15-12/h1-10H/b7-6+
InChIKeyISLOMKARSPEYSI-VOTSOKGWSA-N
MW210.24 g/mol
LogP2.37
Rot. Bonds3

About (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one

(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 19553305) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
PubChem CID19553305
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1cccnc1
InChIInChI=1S/C13H10N2O/c16-13(11-4-3-8-14-10-11)7-6-12-5-1-2-9-15-12/h1-10H/b7-6+
InChIKeyISLOMKARSPEYSI-VOTSOKGWSA-N
XLogP2.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one 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

ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 67013433
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
[6-[(E)-3-oxo-3-phenylprop-1-enyl]-3-pyridinyl] pyridine-3-carboxylate
CID 11587956
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062

Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one (CID 19553305) is (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1ccccn1)c1cccnc1.
What is the InChIKey of (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is ISLOMKARSPEYSI-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13(11-4-3-8-14-10-11)7-6-12-5-1-2-9-15-12/h1-10H/b7-6+.
What are the key properties of (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 210.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 19553305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).