3-(2,4-Dichlorophenyl)-2,5-dimethylpyrazine

HCID 22147351

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cnc(C)c(-c2ccc(Cl)cc2Cl)n1
InChIKey: QBCUXYUCMCCPRO-UHFFFAOYSA-N
Molecular formula: C12H10Cl2N2
Average molar mass: 253.12 g/mol
Monoisotopic mass: 252.0221037

Names & identifiers

Preferred name: 3-(2,4-Dichlorophenyl)-2,5-dimethylpyrazine
IUPAC: 3-(2,4-dichlorophenyl)-2,5-dimethylpyrazine

Names & synonyms

3-(2,4-dichlorophenyl)-2,5-dimethylpyrazineSCHEMBL6101031QBCUXYUCMCCPRO-UHFFFAOYSA-N

Database identifiers

PubChem CID: 22147351

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 237

Related reactions

8 records

New reaction record

HRID 818380As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 944573As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1612147As productuspto-grants-2006_01

HRID 1612149As reactantuspto-grants-2006_01

HRID 1612150As reactantuspto-grants-2006_01

HRID 1824061As productuspto-grants-2006_05

HRID 1824063As reactantuspto-grants-2006_05

HRID 1824064As reactantuspto-grants-2006_05

Compound notes

Loading…