5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide

C10H6BrN3O4 — CID 5187612

IUPAC5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)o1
InChIInChI=1S/C10H6BrN3O4/c11-8-3-2-7(18-8)10(15)13-9-4-1-6(5-12-9)14(16)17/h1-5H,(H,12,13,15)
InChIKeyJCRCDPHAFZXQDB-UHFFFAOYSA-N
MW312.08 g/mol
LogP2.60
Rot. Bonds3

About 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide

5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide (PubChem CID 5187612) has the molecular formula C10H6BrN3O4 and a molecular weight of 312.08 g/mol. Its IUPAC name is 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
PubChem CID5187612
Molecular FormulaC10H6BrN3O4
Molecular Weight312.08 g/mol
Exact Mass310.95
IUPAC Name5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)o1
InChIInChI=1S/C10H6BrN3O4/c11-8-3-2-7(18-8)10(15)13-9-4-1-6(5-12-9)14(16)17/h1-5H,(H,12,13,15)
InChIKeyJCRCDPHAFZXQDB-UHFFFAOYSA-N
XLogP2.60
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
CID 19439788
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
CID 4163230
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
5-bromo-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 3283055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide (CID 5187612) is 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
The InChIKey is JCRCDPHAFZXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O4/c11-8-3-2-7(18-8)10(15)13-9-4-1-6(5-12-9)14(16)17/h1-5H,(H,12,13,15).
What are the key properties of 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide has a molecular weight of 312.08 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 5187612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).