5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide

C11H7BrN4O4 — CID 5404739

IUPAC5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cncc(Br)c1
InChIInChI=1S/C11H7BrN4O4/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-
InChIKeyDCHBLMNDVMBVJY-NSIKDUERSA-N
MW339.11 g/mol
LogP2.11
Rot. Bonds4

About 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 5404739) has the molecular formula C11H7BrN4O4 and a molecular weight of 339.11 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID5404739
Molecular FormulaC11H7BrN4O4
Molecular Weight339.11 g/mol
Exact Mass337.97
IUPAC Name5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cncc(Br)c1
InChIInChI=1S/C11H7BrN4O4/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-
InChIKeyDCHBLMNDVMBVJY-NSIKDUERSA-N
XLogP2.11
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
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)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 51042923
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
N-[(5-nitrofuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2355965
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide (CID 5404739) is 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is DCHBLMNDVMBVJY-NSIKDUERSA-N. The full InChI is InChI=1S/C11H7BrN4O4/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-.
What are the key properties of 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 339.11 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5404739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).