methane;methyl 6-nitroindazole-1-carboxylate

C10H11N3O4 — CID 174489049

IUPACmethane;methyl 6-nitroindazole-1-carboxylate
SMILESC.COC(=O)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C9H7N3O4.CH4/c1-16-9(13)11-8-4-7(12(14)15)3-2-6(8)5-10-11;/h2-5H,1H3;1H4
InChIKeyNFIZVPKDCWJXGS-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.20
Rot. Bonds1

About methane;methyl 6-nitroindazole-1-carboxylate

methane;methyl 6-nitroindazole-1-carboxylate (PubChem CID 174489049) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methane;methyl 6-nitroindazole-1-carboxylate.

Molecular Properties

Compound Namemethane;methyl 6-nitroindazole-1-carboxylate
PubChem CID174489049
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethane;methyl 6-nitroindazole-1-carboxylate
SMILESC.COC(=O)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C9H7N3O4.CH4/c1-16-9(13)11-8-4-7(12(14)15)3-2-6(8)5-10-11;/h2-5H,1H3;1H4
InChIKeyNFIZVPKDCWJXGS-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'}

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Related Compounds

methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide
CID 103229843
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
CID 81296546
trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
CID 102732364
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
methyl 2-methyl-5-nitroindole-1-carboxylate
CID 174684425
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418

Frequently Asked Questions

What is the IUPAC name of methane;methyl 6-nitroindazole-1-carboxylate?
The IUPAC name of methane;methyl 6-nitroindazole-1-carboxylate (CID 174489049) is methane;methyl 6-nitroindazole-1-carboxylate.
What is the SMILES notation for methane;methyl 6-nitroindazole-1-carboxylate?
The canonical SMILES for methane;methyl 6-nitroindazole-1-carboxylate is C.COC(=O)n1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of methane;methyl 6-nitroindazole-1-carboxylate?
The InChIKey is NFIZVPKDCWJXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4.CH4/c1-16-9(13)11-8-4-7(12(14)15)3-2-6(8)5-10-11;/h2-5H,1H3;1H4.
What are the key properties of methane;methyl 6-nitroindazole-1-carboxylate?
methane;methyl 6-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 6-nitroindazole-1-carboxylate is sourced from PubChem (CID 174489049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).