6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

HCID 10596157CAS 185039-48-9

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Basic information

Standard SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(S(C)(=O)=O)nc21
InChIKey: BADVXFUKYQHVBO-UHFFFAOYSA-N
Molecular formula: C15H11Cl2N3O3S
Average molar mass: 384.2 g/mol
Monoisotopic mass: 382.98981757

Names & identifiers

Preferred name: 6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC: 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
English name: 6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
Molecular formula: C15H11Cl2N3O3S
Molecular weight: 384.24

Names & synonyms

185039-48-96-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one6-(2,6-Dichlorophenyl)-8-methyl-2-(methylsulfonyl)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-oneBADVXFUKYQHVBO-UHFFFAOYSA-NC15H11Cl2N3O3SSCHEMBL3762584SCHEMBL29498171DTXSID20442286AKOS030228091DA-36905CS-0360873

Show more names

140628Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylsulfonyl)-

A112906-(2,6-Dichlorophenyl)-2-(methanesulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-Dichlorophenyl)-2-methanesulfonyl-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonyl-pyrido[2,3-d]pyrimidin-7-one

Database identifiers

CAS: 185039-48-9
PubChem CID: 10596157
DTXSID: DTXSID20442286

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 88.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 639

Physicochemical properties

Melting point: 290 ℃ · >290℃
Boiling point: 588.4 · 588.4±60.0 °C(Predicted)
Density: 1.528 · 1.528
storage temp.: 2 · 2-8°C
solubility: Chloroform, Dichloromethane, DMSO, Methanol
pka: -2.78 · -2.78±0.20(Predicted)
form: Solid
color: Light-Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338