5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide

C13H9BrIN3O2 — CID 136794132

IUPAC5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(O)c(I)c1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrIN3O2/c14-10-4-9(6-16-7-10)13(20)18-17-5-8-1-2-12(19)11(15)3-8/h1-7,19H,(H,18,20)/b17-5-
InChIKeyPCLAOWTYSMBLNV-ZWSORDCHSA-N
MW446.04 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 136794132) has the molecular formula C13H9BrIN3O2 and a molecular weight of 446.04 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID136794132
Molecular FormulaC13H9BrIN3O2
Molecular Weight446.04 g/mol
Exact Mass444.89
IUPAC Name5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(O)c(I)c1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrIN3O2/c14-10-4-9(6-16-7-10)13(20)18-17-5-8-1-2-12(19)11(15)3-8/h1-7,19H,(H,18,20)/b17-5-
InChIKeyPCLAOWTYSMBLNV-ZWSORDCHSA-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_B(215)', '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'}

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Related Compounds

5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136739125
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1048926
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 51042921

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide (CID 136794132) is 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc(O)c(I)c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is PCLAOWTYSMBLNV-ZWSORDCHSA-N. The full InChI is InChI=1S/C13H9BrIN3O2/c14-10-4-9(6-16-7-10)13(20)18-17-5-8-1-2-12(19)11(15)3-8/h1-7,19H,(H,18,20)/b17-5-.
What are the key properties of 5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(Z)-(4-hydroxy-3-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)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 136794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).