N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide

C10H8ClN5O3 — CID 1099824

IUPACN-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccnc1Cl
InChIInChI=1S/C10H8ClN5O3/c11-10-7(2-1-3-12-10)14-9(17)5-15-4-8(13-6-15)16(18)19/h1-4,6H,5H2,(H,14,17)
InChIKeyXJXHXPLYJJJYOJ-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.48
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 1099824) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID1099824
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccnc1Cl
InChIInChI=1S/C10H8ClN5O3/c11-10-7(2-1-3-12-10)14-9(17)5-15-4-8(13-6-15)16(18)19/h1-4,6H,5H2,(H,14,17)
InChIKeyXJXHXPLYJJJYOJ-UHFFFAOYSA-N
XLogP1.48
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide (CID 1099824) is N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide is O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is XJXHXPLYJJJYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-10-7(2-1-3-12-10)14-9(17)5-15-4-8(13-6-15)16(18)19/h1-4,6H,5H2,(H,14,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 281.66 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 1099824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).