1-(2,6-Dichlorophenyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

HCID 65501190

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1
InChIKey: XTRSNFLOLWEDDF-UHFFFAOYSA-N
Molecular formula: C12H7Cl2NO3
Average molar mass: 284.09 g/mol

Names & identifiers

Preferred name: 1-(2,6-Dichlorophenyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
IUPAC: 1-(2,6-dichlorophenyl)-6-oxopyridine-3-carboxylic acid

Names & synonyms

SCHEMBL375200XTRSNFLOLWEDDF-UHFFFAOYSA-NAKOS0148389421-(2,6-dichlorophenyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

Database identifiers

PubChem CID: 65501190

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 423

Related reactions

8 records

New reaction record

HRID 105271As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 146221As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 201987As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1921292As reactantuspto-grants-2012_05

HRID 1921294As reactantuspto-grants-2012_05

HRID 1921295As reactantuspto-grants-2012_05

HRID 2147727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2152790As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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