4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine

C24H19ClN2O — CID 12967035

IUPAC4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine
SMILESC=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1
InChIInChI=1S/C24H19ClN2O/c1-2-15-28-23-6-4-3-5-20(23)21-16-22(17-7-9-19(25)10-8-17)27-24(21)18-11-13-26-14-12-18/h2-14,16,27H,1,15H2
InChIKeyMOFSVJOQRDKEAF-UHFFFAOYSA-N
MW386.88 g/mol
LogP6.63
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine

4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 12967035) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine
PubChem CID12967035
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine
SMILESC=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1
InChIInChI=1S/C24H19ClN2O/c1-2-15-28-23-6-4-3-5-20(23)21-16-22(17-7-9-19(25)10-8-17)27-24(21)18-11-13-26-14-12-18/h2-14,16,27H,1,15H2
InChIKeyMOFSVJOQRDKEAF-UHFFFAOYSA-N
XLogP6.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine (CID 12967035) is 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine is C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is MOFSVJOQRDKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-2-15-28-23-6-4-3-5-20(23)21-16-22(17-7-9-19(25)10-8-17)27-24(21)18-11-13-26-14-12-18/h2-14,16,27H,1,15H2.
What are the key properties of 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine?
4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 386.88 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(2-prop-2-enoxyphenyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 12967035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).