CAS 6635-86-5|2-Amino-4-methyl-3-nitropyridine|4-methyl-3-nitropyridin-2-amine|4-methyl-3-nitropyridin-2-amine|2-Amino-3-nitro-4-picoline|2-Amino-4-methyl-3-nitropyridine|2-氨基-4-甲基-3-硝基吡啶|2-...

General Information

Structure

Molecular Formula

C₆H₇N₃O₂

Molecular Mass

153.13868

Exact Mass

153.05382648

Charge

InChI

InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)

InChIKey

IKMZGACFMXZAAT-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1c(C)ccnc1N

Isomeric Smiles

c1cnc(c(c1C)[N+](=O)[O-])N

Calculated Properties

JChem

Acid pKa

16.2507

H Acceptors

H Donor

LogD (pH = 5.5)

1.6204606

LogD (pH = 7.4)

1.6244593

Log P

1.6245105

Molar Refractivity

40.2767

Polarizability

14.275876

Polar Surface Area

82.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-methyl-3-nitropyridin-2-amine

Synonyms

2-Amino-4-methyl-3-nitropyridine2-Amino-3-nitro-4-picoline2-Amino-4-methyl-3-nitropyridine2-氨基-4-甲基-3-硝基吡啶2-氨基-3-硝基-4-甲基吡啶(4-Methyl-3-nitropyridin-2-yl)amineNSC 524534-methyl-3-nitropyridin-2-amine4-Methyl-3-nitro-2-pyridinamine4-Methyl-3-nitro-pyridin-2-ylamine

IUPAC name

4-methyl-3-nitropyridin-2-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number