N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide

C9H9N3O3 — CID 2849565

IUPACN-(5-nitro-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)C1CC1
InChIInChI=1S/C9H9N3O3/c13-9(6-1-2-6)11-8-4-3-7(5-10-8)12(14)15/h3-6H,1-2H2,(H,10,11,13)
InChIKeyPXQMSCKKVCXUKO-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.34
Rot. Bonds3

About N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide

N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide (PubChem CID 2849565) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)cyclopropanecarboxamide
PubChem CID2849565
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC NameN-(5-nitro-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)C1CC1
InChIInChI=1S/C9H9N3O3/c13-9(6-1-2-6)11-8-4-3-7(5-10-8)12(14)15/h3-6H,1-2H2,(H,10,11,13)
InChIKeyPXQMSCKKVCXUKO-UHFFFAOYSA-N
XLogP1.34
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide (CID 2849565) is N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)C1CC1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide?
The InChIKey is PXQMSCKKVCXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-9(6-1-2-6)11-8-4-3-7(5-10-8)12(14)15/h3-6H,1-2H2,(H,10,11,13).
What are the key properties of N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide?
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide has a molecular weight of 207.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 2849565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).