2-chloro-5-nitro-N-pyridin-4-ylbenzamide

C12H8ClN3O3 — CID 2777391

IUPAC2-chloro-5-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKeyFRPJSHKMZHWJBE-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-5-nitro-N-pyridin-4-ylbenzamide

2-chloro-5-nitro-N-pyridin-4-ylbenzamide (PubChem CID 2777391) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-pyridin-4-ylbenzamide
PubChem CID2777391
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name2-chloro-5-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKeyFRPJSHKMZHWJBE-UHFFFAOYSA-N
XLogP2.90
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.90
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 2-chloro-5-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-5-nitro-N-pyridin-4-ylbenzamide (CID 2777391) is 2-chloro-5-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-5-nitro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is FRPJSHKMZHWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17).
What are the key properties of 2-chloro-5-nitro-N-pyridin-4-ylbenzamide?
2-chloro-5-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 277.67 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 2777391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).