N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide

C10H7IN4O3 — CID 65098976

IUPACN-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H7IN4O3/c11-6-1-3-8(12-5-6)14-10(16)7-2-4-9(13-7)15(17)18/h1-5,13H,(H,12,14,16)
InChIKeyPRZLBKOOHYKWKY-UHFFFAOYSA-N
MW358.10 g/mol
LogP2.17
Rot. Bonds3

About N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide

N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide (PubChem CID 65098976) has the molecular formula C10H7IN4O3 and a molecular weight of 358.10 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
PubChem CID65098976
Molecular FormulaC10H7IN4O3
Molecular Weight358.10 g/mol
Exact Mass357.96
IUPAC NameN-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H7IN4O3/c11-6-1-3-8(12-5-6)14-10(16)7-2-4-9(13-7)15(17)18/h1-5,13H,(H,12,14,16)
InChIKeyPRZLBKOOHYKWKY-UHFFFAOYSA-N
XLogP2.17
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide (CID 65098976) is N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is PRZLBKOOHYKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN4O3/c11-6-1-3-8(12-5-6)14-10(16)7-2-4-9(13-7)15(17)18/h1-5,13H,(H,12,14,16).
What are the key properties of N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 358.10 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65098976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).