2-(7-chloro-5-nitroindazol-1-yl)acetamide

C9H7ClN4O3 — CID 75442415

IUPAC2-(7-chloro-5-nitroindazol-1-yl)acetamide
SMILESNC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21
InChIInChI=1S/C9H7ClN4O3/c10-7-2-6(14(16)17)1-5-3-12-13(9(5)7)4-8(11)15/h1-3H,4H2,(H2,11,15)
InChIKeyWGSQOSLLGDXSHM-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.08
Rot. Bonds3

About 2-(7-chloro-5-nitroindazol-1-yl)acetamide

2-(7-chloro-5-nitroindazol-1-yl)acetamide (PubChem CID 75442415) has the molecular formula C9H7ClN4O3 and a molecular weight of 254.63 g/mol. Its IUPAC name is 2-(7-chloro-5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-5-nitroindazol-1-yl)acetamide
PubChem CID75442415
Molecular FormulaC9H7ClN4O3
Molecular Weight254.63 g/mol
Exact Mass254.02
IUPAC Name2-(7-chloro-5-nitroindazol-1-yl)acetamide
SMILESNC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21
InChIInChI=1S/C9H7ClN4O3/c10-7-2-6(14(16)17)1-5-3-12-13(9(5)7)4-8(11)15/h1-3H,4H2,(H2,11,15)
InChIKeyWGSQOSLLGDXSHM-UHFFFAOYSA-N
XLogP1.08
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(7-chloro-5-nitroindazol-1-yl)acetamide?
The IUPAC name of 2-(7-chloro-5-nitroindazol-1-yl)acetamide (CID 75442415) is 2-(7-chloro-5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-5-nitroindazol-1-yl)acetamide?
The canonical SMILES for 2-(7-chloro-5-nitroindazol-1-yl)acetamide is NC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21.
What is the InChIKey of 2-(7-chloro-5-nitroindazol-1-yl)acetamide?
The InChIKey is WGSQOSLLGDXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O3/c10-7-2-6(14(16)17)1-5-3-12-13(9(5)7)4-8(11)15/h1-3H,4H2,(H2,11,15).
What are the key properties of 2-(7-chloro-5-nitroindazol-1-yl)acetamide?
2-(7-chloro-5-nitroindazol-1-yl)acetamide has a molecular weight of 254.63 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 75442415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).