6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine

C26H19BrN2O3 — CID 56958492

IUPAC6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine
SMILESC=CCOc1nc(-c2ccccc2Br)cc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1
InChIInChI=1S/C26H19BrN2O3/c1-2-16-32-26-25(19-8-4-3-5-9-19)22(18-12-14-20(15-13-18)29(30)31)17-24(28-26)21-10-6-7-11-23(21)27/h2-15,17H,1,16H2
InChIKeyASFFRJFMMDGKKX-UHFFFAOYSA-N
MW487.35 g/mol
LogP7.32
Rot. Bonds7

About 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine

6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine (PubChem CID 56958492) has the molecular formula C26H19BrN2O3 and a molecular weight of 487.35 g/mol. Its IUPAC name is 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine.

Molecular Properties

Compound Name6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine
PubChem CID56958492
Molecular FormulaC26H19BrN2O3
Molecular Weight487.35 g/mol
Exact Mass486.06
IUPAC Name6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine
SMILESC=CCOc1nc(-c2ccccc2Br)cc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1
InChIInChI=1S/C26H19BrN2O3/c1-2-16-32-26-25(19-8-4-3-5-9-19)22(18-12-14-20(15-13-18)29(30)31)17-24(28-26)21-10-6-7-11-23(21)27/h2-15,17H,1,16H2
InChIKeyASFFRJFMMDGKKX-UHFFFAOYSA-N
XLogP7.32
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.35
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine 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

formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
1-bromo-3-phenyl-2-prop-2-enoxybenzene
CID 18347636
4-nitro-1-phenyl-2-(6-prop-2-enoxyhexoxy)benzene
CID 54019614
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4960799
(4-nitrophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012567
2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
CID 169336469
(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 19664826
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
CID 71469733
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine?
The IUPAC name of 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine (CID 56958492) is 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine.
What is the SMILES notation for 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine?
The canonical SMILES for 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine is C=CCOc1nc(-c2ccccc2Br)cc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1.
What is the InChIKey of 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine?
The InChIKey is ASFFRJFMMDGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2O3/c1-2-16-32-26-25(19-8-4-3-5-9-19)22(18-12-14-20(15-13-18)29(30)31)17-24(28-26)21-10-6-7-11-23(21)27/h2-15,17H,1,16H2.
What are the key properties of 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine?
6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine has a molecular weight of 487.35 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine is sourced from PubChem (CID 56958492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).