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3'-Chloro-5-nitro-2,4'-bipyridin-6-amine

HCID 59596017
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(-c2ccncc2Cl)ccc1[N+](=O)[O-]
InChIKey
JJQJFZSQSRXLOY-UHFFFAOYSA-N
Molecular formula
C10H7ClN4O2
Average molar mass
250.64 g/mol

Names & identifiers

Preferred name
3'-Chloro-5-nitro-2,4'-bipyridin-6-amine
IUPAC
6-(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine

Names & synonyms

SCHEMBL3791741JJQJFZSQSRXLOY-UHFFFAOYSA-N3'-Chloro-5-nitro-2,4'-bipyridin-6-amine

Database identifiers

PubChem CID
59596017

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
97.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
286

Related reactions

2 records
New reaction record
HRID 93155 reaction equation
HRID 93155As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2264184 reaction equation
HRID 2264184As productuspto-grants-2010_12

Compound notes

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