CAS 42521-09-5|methyl 2,6-dichloropyridine-4-carboxylate|Methyl 2,6-dichloroisonicotinate|methyl 2,6-dichloropyridine-4-carboxylate|2,6-Dichloro-4-(methoxycarbonyl)pyridine|Methyl 2,6-dichloropyridi...

General Information

Structure

Molecular Formula

C₇H₅Cl₂NO₂

Molecular Mass

206.0261

Exact Mass

204.96973377

Charge

InChI

InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3

InChIKey

XSKGHSUHOYEBTK-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cc(Cl)nc(c1)Cl

Isomeric Smiles

n1c(cc(C(=O)OC)cc1Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.407494

LogD (pH = 7.4)

2.407494

Log P

2.407494

Molar Refractivity

47.6586

Polarizability

17.880014

Polar Surface Area

39.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

methyl 2,6-dichloropyridine-4-carboxylate

Synonyms

Methyl 2,6-dichloroisonicotinateMethyl 2,6-dichloropyridine-4-carboxylate2,6-Dichloro-4-(methoxycarbonyl)pyridineMethyl 2,6-dichloroisonicotinate2,6-二氯异烟酸甲酯Methyl 2,6-dichloropyridine-4-carboxylate2,6-二氯吡啶-4-羧酸甲酯2,6-Dichloropyridine-4-carboxylic acid methyl ester

IUPAC Traditional name

methyl 2,6-dichloropyridine-4-carboxylate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID