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4-chloro-1-(3-chloro-2-pyridinyl)-1H-pyrrole-2-carbaldehyde

HCID 57780281
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cc(Cl)cn1-c1ncccc1Cl
InChIKey
ZJNSWUJOAYRGIS-UHFFFAOYSA-N
Molecular formula
C10H6Cl2N2O
Average molar mass
241.07 g/mol

Names & identifiers

Preferred name
4-chloro-1-(3-chloro-2-pyridinyl)-1H-pyrrole-2-carbaldehyde
IUPAC
4-chloro-1-(3-chloro-2-pyridinyl)pyrrole-2-carbaldehyde

Names & synonyms

SCHEMBL950203ZJNSWUJOAYRGIS-UHFFFAOYSA-N4-chloro-1-(3-chloro-2-pyridinyl)-1H-pyrrole-2-carbaldehyde

Database identifiers

PubChem CID
57780281

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
239

Related reactions

3 records
New reaction record
HRID 251964 reaction equation
HRID 251964As productuspto-grants-2011_01
HRID 1228608 reaction equation
HRID 1228608As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2427074 reaction equation
HRID 2427074As productuspto-grants-2011_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes