2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol

C20H10BrCl3N4O3 — CID 171979601

IUPAC2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccc(Cl)cn23)c1
InChIInChI=1S/C20H10BrCl3N4O3/c21-15-7-13(28(30)31)5-10(19(15)29)8-25-20-18(14-3-1-11(22)6-16(14)24)26-17-4-2-12(23)9-27(17)20/h1-9,29H/b25-8+
InChIKeyYXJIZTBJAIZRML-ZNLRHDTNSA-N
MW540.59 g/mol
LogP7.09
Rot. Bonds4

About 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol

2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol (PubChem CID 171979601) has the molecular formula C20H10BrCl3N4O3 and a molecular weight of 540.59 g/mol. Its IUPAC name is 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol
PubChem CID171979601
Molecular FormulaC20H10BrCl3N4O3
Molecular Weight540.59 g/mol
Exact Mass537.90
IUPAC Name2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccc(Cl)cn23)c1
InChIInChI=1S/C20H10BrCl3N4O3/c21-15-7-13(28(30)31)5-10(19(15)29)8-25-20-18(14-3-1-11(22)6-16(14)24)26-17-4-2-12(23)9-27(17)20/h1-9,29H/b25-8+
InChIKeyYXJIZTBJAIZRML-ZNLRHDTNSA-N
XLogP7.09
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol 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 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol?
The IUPAC name of 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol (CID 171979601) is 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol is O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccc(Cl)cn23)c1.
What is the InChIKey of 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol?
The InChIKey is YXJIZTBJAIZRML-ZNLRHDTNSA-N. The full InChI is InChI=1S/C20H10BrCl3N4O3/c21-15-7-13(28(30)31)5-10(19(15)29)8-25-20-18(14-3-1-11(22)6-16(14)24)26-17-4-2-12(23)9-27(17)20/h1-9,29H/b25-8+.
What are the key properties of 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol?
2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol has a molecular weight of 540.59 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol is sourced from PubChem (CID 171979601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).