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Compound
3-Pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonyl chloride
HCID
20190403
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
O=C(Cl)c1cc(-c2cccnc2)n2c1CCCC2
InChIKey
GPLVWRLVJWHLPP-UHFFFAOYSA-N
Molecular formula
C14H13ClN2O
Average molar mass
260.72 g/mol
Names & identifiers
Preferred name
3-Pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonyl chloride
IUPAC
3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonyl chloride
Database identifiers
PubChem CID
20190403
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
323
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HRID
86196
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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