6-Cyclohexenyl-pyridine-2-carboxylic acid

HCID 71087233

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cccc(C2=CCCCC2)n1
InChIKey: UJZDQRLQARTLAV-UHFFFAOYSA-N
Molecular formula: C12H13NO2
Average molar mass: 203.24 g/mol

Names & identifiers

Preferred name: 6-Cyclohexenyl-pyridine-2-carboxylic acid
IUPAC: 6-(cyclohexen-1-yl)pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL14151556UJZDQRLQARTLAV-UHFFFAOYSA-N6-Cyclohexenyl-pyridine-2-carboxylic acid

Database identifiers

PubChem CID: 71087233

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 273

Related reactions

6 records

New reaction record

HRID 283077 reaction equation

HRID 283077As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 309764 reaction equation

HRID 309764As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 631956 reaction equation

HRID 631956As productuspto-grants-2016_04

HRID 631957 reaction equation

HRID 631957As reactantuspto-grants-2016_04

HRID 927342 reaction equation

HRID 927342As productuspto-grants-2016_03

HRID 927343 reaction equation

HRID 927343As reactantuspto-grants-2016_03

Compound notes

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