3-nitro-3H-indazole

C7H5N3O2 — CID 173392250

IUPAC3-nitro-3H-indazole
SMILESO=[N+]([O-])C1N=Nc2ccccc21
InChIInChI=1S/C7H5N3O2/c11-10(12)7-5-3-1-2-4-6(5)8-9-7/h1-4,7H
InChIKeyCNOHJGGDGAANBV-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.06
Rot. Bonds1

About 3-nitro-3H-indazole

3-nitro-3H-indazole (PubChem CID 173392250) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-nitro-3H-indazole.

Molecular Properties

Compound Name3-nitro-3H-indazole
PubChem CID173392250
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name3-nitro-3H-indazole
SMILESO=[N+]([O-])C1N=Nc2ccccc21
InChIInChI=1S/C7H5N3O2/c11-10(12)7-5-3-1-2-4-6(5)8-9-7/h1-4,7H
InChIKeyCNOHJGGDGAANBV-UHFFFAOYSA-N
XLogP2.06
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-bromo-3H-indazole
CID 53412030
(3R)-3-bromo-3H-indazole
CID 97301180
2-methyl-3-nitro-3,4-dihydroquinolin-4-amine
CID 178085206
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
2-[(3R)-3H-indazol-3-yl]acetic acid
CID 95969944
N-methyl-4-nitro-3,4-dihydroquinolin-3-amine
CID 119089864
9-methyl-10-nitro-9,10-dihydroanthracene
CID 13004595
(3S)-4-nitro-3H-indazole-3-carboxylic acid
CID 97056358
3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol
CID 22320445
4-(nitromethyl)-2,3-diphenyl-4H-quinazoline
CID 135070641
(3S)-N-(2-chlorophenoxy)-3-nitro-3H-indol-2-amine
CID 6990616
N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
CID 11023002

Frequently Asked Questions

What is the IUPAC name of 3-nitro-3H-indazole?
The IUPAC name of 3-nitro-3H-indazole (CID 173392250) is 3-nitro-3H-indazole.
What is the SMILES notation for 3-nitro-3H-indazole?
The canonical SMILES for 3-nitro-3H-indazole is O=[N+]([O-])C1N=Nc2ccccc21.
What is the InChIKey of 3-nitro-3H-indazole?
The InChIKey is CNOHJGGDGAANBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-10(12)7-5-3-1-2-4-6(5)8-9-7/h1-4,7H.
What are the key properties of 3-nitro-3H-indazole?
3-nitro-3H-indazole has a molecular weight of 163.14 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-3H-indazole is sourced from PubChem (CID 173392250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).