5-nitro-1-(pyridin-2-ylmethyl)-1H-indazole

HCID 22496149

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc2c(cnn2Cc2ccccn2)c1
InChIKey: BDVQVFHQWHRDOR-UHFFFAOYSA-N
Molecular formula: C13H10N4O2
Average molar mass: 254.24 g/mol

Names & identifiers

Preferred name: 5-nitro-1-(pyridin-2-ylmethyl)-1H-indazole
IUPAC: 5-nitro-1-(pyridin-2-ylmethyl)indazole

Names & synonyms

5-nitro-1-(pyridin-2-ylmethyl)-1H-indazole930606-40-9SCHEMBL938567SCHEMBL29377752BDVQVFHQWHRDOR-UHFFFAOYSA-N5-nitro-1-pyridin-2-ylmethyl-1H-indazoleDB-317755

Database identifiers

PubChem CID: 22496149

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 76.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 333

Related reactions

11 records

New reaction record

HRID 38547As productuspto-grants-2013_09

HRID 38548As reactantuspto-grants-2013_09

HRID 117418As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 191019As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 292658As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 310936As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1119389As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1162208As productuspto-grants-2010_10

Linked notes

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