5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide

C10H8N3O4+ — CID 4072489

IUPAC5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
SMILESO=C(Nc1ccc[nH+]c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H7N3O4/c14-10(12-7-2-1-5-11-6-7)8-3-4-9(17-8)13(15)16/h1-6H,(H,12,14)/p+1
InChIKeyADYPJKNMIDVKIU-UHFFFAOYSA-O
MW234.19 g/mol
LogP1.25
Rot. Bonds3

About 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide

5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide (PubChem CID 4072489) has the molecular formula C10H8N3O4+ and a molecular weight of 234.19 g/mol. Its IUPAC name is 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
PubChem CID4072489
Molecular FormulaC10H8N3O4+
Molecular Weight234.19 g/mol
Exact Mass234.05
IUPAC Name5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
SMILESO=C(Nc1ccc[nH+]c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H7N3O4/c14-10(12-7-2-1-5-11-6-7)8-3-4-9(17-8)13(15)16/h1-6H,(H,12,14)/p+1
InChIKeyADYPJKNMIDVKIU-UHFFFAOYSA-O
XLogP1.25
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
CID 115683192
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
The IUPAC name of 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide (CID 4072489) is 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide is O=C(Nc1ccc[nH+]c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
The InChIKey is ADYPJKNMIDVKIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7N3O4/c14-10(12-7-2-1-5-11-6-7)8-3-4-9(17-8)13(15)16/h1-6H,(H,12,14)/p+1.
What are the key properties of 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide?
5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide has a molecular weight of 234.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide is sourced from PubChem (CID 4072489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).