methane;methyl 5-nitroindazole-1-carboxylate

C10H11N3O4 — CID 175242538

IUPACmethane;methyl 5-nitroindazole-1-carboxylate
SMILESC.COC(=O)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H7N3O4.CH4/c1-16-9(13)11-8-3-2-7(12(14)15)4-6(8)5-10-11;/h2-5H,1H3;1H4
InChIKeyCTJVEDFRJWHBAP-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.20
Rot. Bonds1

About methane;methyl 5-nitroindazole-1-carboxylate

methane;methyl 5-nitroindazole-1-carboxylate (PubChem CID 175242538) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methane;methyl 5-nitroindazole-1-carboxylate.

Molecular Properties

Compound Namemethane;methyl 5-nitroindazole-1-carboxylate
PubChem CID175242538
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethane;methyl 5-nitroindazole-1-carboxylate
SMILESC.COC(=O)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H7N3O4.CH4/c1-16-9(13)11-8-3-2-7(12(14)15)4-6(8)5-10-11;/h2-5H,1H3;1H4
InChIKeyCTJVEDFRJWHBAP-UHFFFAOYSA-N
XLogP2.20
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.20
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'}

Analyze methane;methyl 5-nitroindazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
methyl 2-methyl-5-nitroindole-1-carboxylate
CID 174684425
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
1-tert-butyl-5-nitroindazole
CID 15147634
potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid
CID 173335404
2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060658
tert-butyl N-[3-(5-nitroindazol-1-yl)propyl]carbamate
CID 172610258
N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide
CID 1205869
1-methyl-6-nitroquinazolin-2-one
CID 135386678
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
1-(1-ethylpiperidin-4-yl)-5-nitroindazole
CID 68610601

Frequently Asked Questions

What is the IUPAC name of methane;methyl 5-nitroindazole-1-carboxylate?
The IUPAC name of methane;methyl 5-nitroindazole-1-carboxylate (CID 175242538) is methane;methyl 5-nitroindazole-1-carboxylate.
What is the SMILES notation for methane;methyl 5-nitroindazole-1-carboxylate?
The canonical SMILES for methane;methyl 5-nitroindazole-1-carboxylate is C.COC(=O)n1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of methane;methyl 5-nitroindazole-1-carboxylate?
The InChIKey is CTJVEDFRJWHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4.CH4/c1-16-9(13)11-8-3-2-7(12(14)15)4-6(8)5-10-11;/h2-5H,1H3;1H4.
What are the key properties of methane;methyl 5-nitroindazole-1-carboxylate?
methane;methyl 5-nitroindazole-1-carboxylate has a molecular weight of 237.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 5-nitroindazole-1-carboxylate is sourced from PubChem (CID 175242538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).