3-nitro-N-pyridin-2-ylbenzamide

C12H9N3O3 — CID 676057

IUPAC3-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16)
InChIKeyYSNFSBABFQPALZ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.24
Rot. Bonds3

About 3-nitro-N-pyridin-2-ylbenzamide

3-nitro-N-pyridin-2-ylbenzamide (PubChem CID 676057) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-nitro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-nitro-N-pyridin-2-ylbenzamide
PubChem CID676057
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name3-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16)
InChIKeyYSNFSBABFQPALZ-UHFFFAOYSA-N
XLogP2.24
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.24
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 3-nitro-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-nitro-N-pyridin-2-ylbenzamide (CID 676057) is 3-nitro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-nitro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-nitro-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-pyridin-2-ylbenzamide?
The InChIKey is YSNFSBABFQPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16).
What are the key properties of 3-nitro-N-pyridin-2-ylbenzamide?
3-nitro-N-pyridin-2-ylbenzamide has a molecular weight of 243.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 676057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).