5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide

C13H9BrN4O4 — CID 6899822

IUPAC5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN4O4/c14-10-4-9(6-15-7-10)13(20)17-16-5-8-1-2-11(18(21)22)12(19)3-8/h1-7,19H,(H,17,20)/b16-5+
InChIKeyOERCPWHGUYUVBJ-FZSIALSZSA-N
MW365.14 g/mol
LogP2.22
Rot. Bonds4

About 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6899822) has the molecular formula C13H9BrN4O4 and a molecular weight of 365.14 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6899822
Molecular FormulaC13H9BrN4O4
Molecular Weight365.14 g/mol
Exact Mass363.98
IUPAC Name5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN4O4/c14-10-4-9(6-15-7-10)13(20)17-16-5-8-1-2-11(18(21)22)12(19)3-8/h1-7,19H,(H,17,20)/b16-5+
InChIKeyOERCPWHGUYUVBJ-FZSIALSZSA-N
XLogP2.22
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
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 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)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

5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
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-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 135796985
4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
CID 51712109
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5404739
2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 6887735
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1048926
5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 6899822) is 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is OERCPWHGUYUVBJ-FZSIALSZSA-N. The full InChI is InChI=1S/C13H9BrN4O4/c14-10-4-9(6-15-7-10)13(20)17-16-5-8-1-2-11(18(21)22)12(19)3-8/h1-7,19H,(H,17,20)/b16-5+.
What are the key properties of 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 365.14 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6899822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).