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4-Chloro-6-(2-chloro-pyridin-3-yl)-pyrimidine

HCID 24902151
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1cc(-c2cccnc2Cl)ncn1
InChIKey
NDUZYQYSEALPEU-UHFFFAOYSA-N
Molecular formula
C9H5Cl2N3
Average molar mass
226.06 g/mol

Names & identifiers

Preferred name
4-Chloro-6-(2-chloro-pyridin-3-yl)-pyrimidine
IUPAC
4-chloro-6-(2-chloro-3-pyridinyl)pyrimidine

Names & synonyms

4-Chloro-6-(2-chloro-pyridin-3-yl)-pyrimidineSCHEMBL1265477NDUZYQYSEALPEU-UHFFFAOYSA-NDB-1539134-Chloro-6-(2-chloro-3-pyridinyl)pyrimidine870221-72-0

Database identifiers

PubChem CID
24902151

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
191

Related reactions

2 records
New reaction record
HRID 121892 reaction equation
HRID 121892As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1361669 reaction equation
HRID 1361669As reactantuspto-grants-2011_02

Compound notes

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