Dimethyl 4-chloropyridine-3,5-dicarboxylate

HCID 22019198

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cncc(C(=O)OC)c1Cl
InChIKey: QGNVACJSCSISDG-UHFFFAOYSA-N
Molecular formula: C9H8ClNO4
Average molar mass: 229.62 g/mol

Names & identifiers

Preferred name: Dimethyl 4-chloropyridine-3,5-dicarboxylate
IUPAC: dimethyl 4-chloropyridine-3,5-dicarboxylate

Names & synonyms

dimethyl 4-chloropyridine-3,5-dicarboxylate1211511-59-9Dimethyl 4-chloro-3,5-pyridinedicarboxylateSCHEMBL3560429QGNVACJSCSISDG-UHFFFAOYSA-NAKOS005264030Methyl-4-chloro-5-methoxycarbonyl-nicotinate

Database identifiers

PubChem CID: 22019198

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 234

Related reactions

8 records

New reaction record

HRID 6893As productuspto-grants-2006_08

HRID 6894As reactantuspto-grants-2006_08

HRID 59953As productuspto-grants-2016_09

HRID 59954As reactantuspto-grants-2016_09

HRID 1133378As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1442897As productuspto-grants-2010_02

HRID 1442898As reactantuspto-grants-2010_02

HRID 2318649As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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