CAS 175137-27-6|2-Chloro-5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidine|methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate|Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate 97%...

General Information

Structure

Molecular Formula

C₇H₄ClF₃N₂O₂

Molecular Mass

240.5670696

Exact Mass

239.99133972

Charge

InChI

InChI=1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3

InChIKey

VLUBJYUOPNGBOQ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cnc(nc1C(F)(F)F)Cl

Isomeric Smiles

c1(c(C(F)(F)F)nc(nc1)Cl)C(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2254615

LogD (pH = 7.4)

2.2254615

Log P

2.2254615

Molar Refractivity

45.8479

Polarizability

16.658312

Polar Surface Area

52.08

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Synonyms

2-Chloro-5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidineMethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate 97%methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylateMethyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylateMethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate2-氯-4-(三氟甲基)嘧啶-5-羧酸甲酯

IUPAC name

methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID