CAS 6937-03-7|CAS 6937/3/7|Methyl 2-aminoisonicotinate|methyl 2-aminopyridine-4-carboxylate|methyl 2-aminopyridine-4-carboxylate|Methyl 2-aminopyridine-4-carboxylate|2-Amino-4-pyridinecarboxylic Aci...

General Information

Structure

Molecular Formula

C₇H₈N₂O₂

Molecular Mass

152.15062

Exact Mass

152.05857751

Charge

InChI

InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)

InChIKey

SVWWNEYBEFASMP-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccnc(c1)N

Isomeric Smiles

C(=O)(c1cc(ncc1)N)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.38773194

LogD (pH = 7.4)

0.5225365

Log P

0.5245819

Molar Refractivity

40.9403

Polarizability

15.025078

Polar Surface Area

65.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Methyl 2-aminoisonicotinateMethyl 2-aminopyridine-4-carboxylate2-Amino-4-pyridinecarboxylic Acid Methyl EsterNSC 401382-Aminoisonicotinic Acid Methyl EsterMethyl 2-Amino-4-pyridinecarboxylate4-(Methoxycarbonyl)pyridin-2-amineMethyl 2-aminopyridine-4-carboxylate2-氨基异烟酸甲酯Methyl 2-aminoisonicotinateMethyl 2-aminopyridine-4-carboxylate2-氨基吡啶-4-羧酸苯甲酸甲酯2-Aminopyridine-4-carboxylic acid methyl ester

IUPAC Traditional name

methyl 2-aminopyridine-4-carboxylate

IUPAC name

methyl 2-aminopyridine-4-carboxylate

Names and Identifiers

Registration numbers

CAS Number

6937-03-76937/3/7

MDL Number

MFCD04039316

Beilstein Number

128642