2-Chloro-6-formylaminomethylnicotinic acid methyl ester (HCID 58324544)

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc(CNC=O)nc1Cl
InChIKey: XTUQHUQSYVMFJA-UHFFFAOYSA-N
Molecular formula: C9H9ClN2O3
Average molar mass: 228.63 g/mol
Monoisotopic mass: 228.0301698

Names & identifiers

Preferred name: 2-Chloro-6-formylaminomethylnicotinic acid methyl ester
IUPAC: methyl 2-chloro-6-(formamidomethyl)pyridine-3-carboxylate

Names & synonyms

SCHEMBL1615129XTUQHUQSYVMFJA-UHFFFAOYSA-N2-Chloro-6-formylaminomethyl-nicotinic acid methyl ester2-Chloro-6-formylaminomethylnicotinic acid methyl ester

Database identifiers

PubChem CID: 58324544

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 68.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 237

Related reactions

18 records

New reaction record

HRID 1231275As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1239573As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1500673As productuspto-grants-2015_12

HRID 1500674As productuspto-grants-2015_12

HRID 1500675As reactantuspto-grants-2015_12

HRID 1500687As productuspto-grants-2015_12

HRID 1500688As reactantuspto-grants-2015_12

HRID 1550198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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