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

C13H8Br3N3O2 — CID 51042921

IUPAC5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cncc(Br)c1
InChIInChI=1S/C13H8Br3N3O2/c14-9-1-8(4-17-6-9)13(21)19-18-5-7-2-12(20)11(16)3-10(7)15/h1-6,20H,(H,19,21)/b18-5+
InChIKeyRUQDUIOGXOPKFL-BLLMUTORSA-N
MW477.94 g/mol
LogP3.84
Rot. Bonds3

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

5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 51042921) has the molecular formula C13H8Br3N3O2 and a molecular weight of 477.94 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID51042921
Molecular FormulaC13H8Br3N3O2
Molecular Weight477.94 g/mol
Exact Mass474.82
IUPAC Name5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cncc(Br)c1
InChIInChI=1S/C13H8Br3N3O2/c14-9-1-8(4-17-6-9)13(21)19-18-5-7-2-12(20)11(16)3-10(7)15/h1-6,20H,(H,19,21)/b18-5+
InChIKeyRUQDUIOGXOPKFL-BLLMUTORSA-N
XLogP3.84
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136739125
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136882425
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136792612
5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3743502
2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 6887735
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 51042921) is 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is RUQDUIOGXOPKFL-BLLMUTORSA-N. The full InChI is InChI=1S/C13H8Br3N3O2/c14-9-1-8(4-17-6-9)13(21)19-18-5-7-2-12(20)11(16)3-10(7)15/h1-6,20H,(H,19,21)/b18-5+.
What are the key properties of 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 477.94 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 51042921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).