[6-Chloro-4-(2-chloro-phenyl)-pyridin-3-yl]-methyl-amine

HCID 23502811

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CNc1cnc(Cl)cc1-c1ccccc1Cl
InChIKey: YQAXUOODLQEIAQ-UHFFFAOYSA-N
Molecular formula: C12H10Cl2N2
Average molar mass: 253.12 g/mol
Monoisotopic mass: 252.0221037

Names & identifiers

Preferred name: [6-Chloro-4-(2-chloro-phenyl)-pyridin-3-yl]-methyl-amine
IUPAC: 6-chloro-4-(2-chlorophenyl)-N-methylpyridin-3-amine

Names & synonyms

401892-53-3SCHEMBL1869746YQAXUOODLQEIAQ-UHFFFAOYSA-NDB-108049[6-chloro-4-(2-chloro-phenyl)-pyridin-3-yl]-methyl-amine

Database identifiers

PubChem CID: 23502811

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 225

Related reactions

12 records

New reaction record

HRID 547748As productuspto-grants-2011_05

HRID 547750As reactantuspto-grants-2011_05

HRID 547753As reactantuspto-grants-2011_05

HRID 670574As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 674736As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 809621As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1835334As productuspto-grants-2004_08

HRID 1835335As reactantuspto-grants-2004_08

Compound notes

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