3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide

C13H7Br2Cl2N3O2 — CID 135883335

IUPAC3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H7Br2Cl2N3O2/c14-7-3-6(4-8(15)12(7)21)5-18-20-13(22)11-9(16)1-2-10(17)19-11/h1-5,21H,(H,20,22)/b18-5+
InChIKeyXNRFLGIZYNHFOC-BLLMUTORSA-N
MW467.93 g/mol
LogP4.38
Rot. Bonds3

About 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide

3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135883335) has the molecular formula C13H7Br2Cl2N3O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID135883335
Molecular FormulaC13H7Br2Cl2N3O2
Molecular Weight467.93 g/mol
Exact Mass464.83
IUPAC Name3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H7Br2Cl2N3O2/c14-7-3-6(4-8(15)12(7)21)5-18-20-13(22)11-9(16)1-2-10(17)19-11/h1-5,21H,(H,20,22)/b18-5+
InChIKeyXNRFLGIZYNHFOC-BLLMUTORSA-N
XLogP4.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide
CID 45276044
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173683
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643416
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788590
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 135883335) is 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is XNRFLGIZYNHFOC-BLLMUTORSA-N. The full InChI is InChI=1S/C13H7Br2Cl2N3O2/c14-7-3-6(4-8(15)12(7)21)5-18-20-13(22)11-9(16)1-2-10(17)19-11/h1-5,21H,(H,20,22)/b18-5+.
What are the key properties of 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135883335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).