5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide

C13H9BrIN3O2 — CID 136739125

IUPAC5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cc(I)ccc1O)c1cncc(Br)c1
InChIInChI=1S/C13H9BrIN3O2/c14-10-3-9(5-16-7-10)13(20)18-17-6-8-4-11(15)1-2-12(8)19/h1-7,19H,(H,18,20)/b17-6-
InChIKeyUXVOJIIYCDOCQY-FMQZQXMHSA-N
MW446.04 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 136739125) has the molecular formula C13H9BrIN3O2 and a molecular weight of 446.04 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID136739125
Molecular FormulaC13H9BrIN3O2
Molecular Weight446.04 g/mol
Exact Mass444.89
IUPAC Name5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cc(I)ccc1O)c1cncc(Br)c1
InChIInChI=1S/C13H9BrIN3O2/c14-10-3-9(5-16-7-10)13(20)18-17-6-8-4-11(15)1-2-12(8)19/h1-7,19H,(H,18,20)/b17-6-
InChIKeyUXVOJIIYCDOCQY-FMQZQXMHSA-N
XLogP2.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.04
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide 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

3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
N-[(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 3600864
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-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 51042921
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135579434
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136882425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide (CID 136739125) is 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1cc(I)ccc1O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is UXVOJIIYCDOCQY-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H9BrIN3O2/c14-10-3-9(5-16-7-10)13(20)18-17-6-8-4-11(15)1-2-12(8)19/h1-7,19H,(H,18,20)/b17-6-.
What are the key properties of 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 446.04 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 136739125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).