2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid

C10H10N4O5 — CID 118095906

IUPAC2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid
SMILESO=C(O)NCCOc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O5/c15-10(16)11-1-2-19-9-4-7-6(5-12-13-7)3-8(9)14(17)18/h3-5,11H,1-2H2,(H,12,13)(H,15,16)
InChIKeyFWGXSJFRJCNUQS-UHFFFAOYSA-N
MW266.21 g/mol
LogP1.12
Rot. Bonds5

About 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid

2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid (PubChem CID 118095906) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid
PubChem CID118095906
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid
SMILESO=C(O)NCCOc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O5/c15-10(16)11-1-2-19-9-4-7-6(5-12-13-7)3-8(9)14(17)18/h3-5,11H,1-2H2,(H,12,13)(H,15,16)
InChIKeyFWGXSJFRJCNUQS-UHFFFAOYSA-N
XLogP1.12
TPSA130.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid 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

6-(4-chlorobutoxy)-5-nitro-1H-indazole
CID 118060833
N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine
CID 118096113
5-nitro-1H-indazole-6-sulfonic acid
CID 142741949
2-[6-nitro-4-(2,4,5-trichloroanilino)quinazolin-7-yl]oxyethylcarbamic acid
CID 69100721
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid
CID 118096101
2-[4-(4-bromo-2-fluoroanilino)-6-nitroquinazolin-7-yl]oxyethylcarbamic acid
CID 69100575
2-[4-(4,5-dichloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]oxyethylcarbamic acid
CID 69100660
2-[4-(4-bromo-2,3-difluoroanilino)-6-nitroquinazolin-7-yl]oxyethylcarbamic acid
CID 69309002
6-methyl-N-[2-(trifluoromethoxy)ethyl]-1H-indazole-5-carboxamide
CID 141431058
4-nitro-1H-indazole-6-carboxylic acid
CID 24728271
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid?
The IUPAC name of 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid (CID 118095906) is 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid.
What is the SMILES notation for 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid?
The canonical SMILES for 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid is O=C(O)NCCOc1cc2[nH]ncc2cc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid?
The InChIKey is FWGXSJFRJCNUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-10(16)11-1-2-19-9-4-7-6(5-12-13-7)3-8(9)14(17)18/h3-5,11H,1-2H2,(H,12,13)(H,15,16).
What are the key properties of 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid?
2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid has a molecular weight of 266.21 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-1H-indazol-6-yl)oxy]ethylcarbamic acid is sourced from PubChem (CID 118095906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).