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2-Propyl-4-chloro-3-methyl-pyridine

HCID 18675864
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1nccc(Cl)c1C
InChIKey
JGIOWRLADFKILT-UHFFFAOYSA-N
Molecular formula
C9H12ClN
Average molar mass
169.65 g/mol
Monoisotopic mass
169.0658271

Names & identifiers

Preferred name
2-Propyl-4-chloro-3-methyl-pyridine
IUPAC
4-chloro-3-methyl-2-propylpyridine

Names & synonyms

SCHEMBL7099724JGIOWRLADFKILT-UHFFFAOYSA-N2-Propyl-4-chloro-3-methyl-pyridine

Database identifiers

PubChem CID
18675864

Properties

Computed structural properties

XLogP
3
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
116

Related reactions

2 records
New reaction record
HRID 180317 reaction equation
HRID 180317As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1635093 reaction equation
HRID 1635093As productuspto-grants-2003_01

Compound notes

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