CAS 14150-94-8|1-methyl-3,5-dinitropyridin-2-one|1-methyl-3,5-dinitro-1,2-dihydropyridin-2-one|1-Methyl-3,5-dinitro-1H-pyridin-2-one|1-Methyl-3,5-dinitro-2-pyridone|??1-甲基-3,5-二硝基-2-吡啶酮|1-甲...

General Information

Structure

Molecular Formula

C₆H₅N₃O₅

Molecular Mass

199.121

Exact Mass

199.02292028

Charge

InChI

InChI=1S/C6H5N3O5/c1-7-3-4(8(11)12)2-5(6(7)10)9(13)14/h2-3H,1H3

InChIKey

QARVELJVEBLWGK-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cn(C)c(=O)c(c1)[N+](=O)[O-]

Isomeric Smiles

c1(cn(c(=O)c(c1)[N+](=O)[O-])C)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.37107477

LogD (pH = 7.4)

-0.37107477

Log P

-0.37107477

Molar Refractivity

43.4459

Polarizability

15.938259

Polar Surface Area

106.59

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-methyl-3,5-dinitropyridin-2-one

IUPAC name

1-methyl-3,5-dinitro-1,2-dihydropyridin-2-one

Synonyms

1-Methyl-3,5-dinitro-1H-pyridin-2-one??1-甲基-3,5-二硝基-2-吡啶酮1-Methyl-3,5-dinitropyridin-2(1H)-one1-Methyl-3,5-dinitro-2-pyridone1-甲基-3,5-二硝基吡啶-2(1H)-酮1-methyl-3,5-dinitro-1,2-dihydropyridin-2-one1-methyl-3,5-dinitropyridin-2(1H)-one1-Methyl-3,5-dinitropyridine-2(1H)-one

Names and Identifiers

Registration numbers

PubChem SID

MDL Number

CAS Number

PubChem CID

Registration numbers

Properties