N-(6-chloro-5-nitro-2-pyridinyl)acetamide

C7H6ClN3O3 — CID 3066685

IUPACN-(6-chloro-5-nitro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C7H6ClN3O3/c1-4(12)9-6-3-2-5(11(13)14)7(8)10-6/h2-3H,1H3,(H,9,10,12)
InChIKeyKKTGQJSKUMYTQA-UHFFFAOYSA-N
MW215.60 g/mol
LogP1.60
Rot. Bonds2

About N-(6-chloro-5-nitro-2-pyridinyl)acetamide

N-(6-chloro-5-nitro-2-pyridinyl)acetamide (PubChem CID 3066685) has the molecular formula C7H6ClN3O3 and a molecular weight of 215.60 g/mol. Its IUPAC name is N-(6-chloro-5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-5-nitro-2-pyridinyl)acetamide
PubChem CID3066685
Molecular FormulaC7H6ClN3O3
Molecular Weight215.60 g/mol
Exact Mass215.01
IUPAC NameN-(6-chloro-5-nitro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C7H6ClN3O3/c1-4(12)9-6-3-2-5(11(13)14)7(8)10-6/h2-3H,1H3,(H,9,10,12)
InChIKeyKKTGQJSKUMYTQA-UHFFFAOYSA-N
XLogP1.60
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(6-chloro-5-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-(6-chloro-5-nitro-2-pyridinyl)acetamide (CID 3066685) is N-(6-chloro-5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-(6-chloro-5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-(6-chloro-5-nitro-2-pyridinyl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of N-(6-chloro-5-nitro-2-pyridinyl)acetamide?
The InChIKey is KKTGQJSKUMYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O3/c1-4(12)9-6-3-2-5(11(13)14)7(8)10-6/h2-3H,1H3,(H,9,10,12).
What are the key properties of N-(6-chloro-5-nitro-2-pyridinyl)acetamide?
N-(6-chloro-5-nitro-2-pyridinyl)acetamide has a molecular weight of 215.60 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 3066685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).