methyl 2-(6-nitroindazol-1-yl)acetate

C10H9N3O4 — CID 22060373

IUPACmethyl 2-(6-nitroindazol-1-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H9N3O4/c1-17-10(14)6-12-9-4-8(13(15)16)3-2-7(9)5-11-12/h2-5H,6H2,1H3
InChIKeyULUUYDFFEJMKES-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-(6-nitroindazol-1-yl)acetate

methyl 2-(6-nitroindazol-1-yl)acetate (PubChem CID 22060373) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is methyl 2-(6-nitroindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-nitroindazol-1-yl)acetate
PubChem CID22060373
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Namemethyl 2-(6-nitroindazol-1-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H9N3O4/c1-17-10(14)6-12-9-4-8(13(15)16)3-2-7(9)5-11-12/h2-5H,6H2,1H3
InChIKeyULUUYDFFEJMKES-UHFFFAOYSA-N
XLogP1.12
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 2-(6-nitroindazol-1-yl)acetate?
The IUPAC name of methyl 2-(6-nitroindazol-1-yl)acetate (CID 22060373) is methyl 2-(6-nitroindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-nitroindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(6-nitroindazol-1-yl)acetate is COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of methyl 2-(6-nitroindazol-1-yl)acetate?
The InChIKey is ULUUYDFFEJMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-17-10(14)6-12-9-4-8(13(15)16)3-2-7(9)5-11-12/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(6-nitroindazol-1-yl)acetate?
methyl 2-(6-nitroindazol-1-yl)acetate has a molecular weight of 235.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-nitroindazol-1-yl)acetate is sourced from PubChem (CID 22060373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).