3-Nitroisonicotinaldehyde

CAT: 0127-OR944909-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR944909-01Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

153813-70-8

MDL Number

MFCD06253937

Purity

95%

Smiles

[O-][N+](=O)c1cnccc1C=O

Chemical Information

3-Nitropyridine-4-carbaldehyde

CAS Number	153813-70-8
PubChem CID	2762987
IUPAC Name	3-nitropyridine-4-carbaldehyde
Molecular Formula	C6H4N2O3
Molecular Weight	152.11
XLogP	0.1
Topological Polar Surface Area	75.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	166

SMILES

C1=CN=CC(=C1C=O)[N+](=O)[O-]

InChI

InChI=1S/C6H4N2O3/c9-4-5-1-2-7-3-6(5)8(10)11/h1-4H

InChIKey

CPHKHQSASVFAHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153813-70-8

CID: 2762987

Formula: C6H4N2O3

MW: 152.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.11
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	152.02219199
Monoisotopic Mass	152.02219199
Topological Polar Surface Area	75.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1057890-01	2-Chloro-5-nitroisonicotinaldehyde
OR84363-01	2-Bromo-5-nitroisonicotinaldehyde
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
OR1060769-01	3,3',3''-Phosphanetriyltriphenol
PC4553-01	3,3,3-Trifluoropropanenitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane

Catalog	Name
FN151432-01	3-Nitroisonicotinaldehyde
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
QPA42834	3,3,3-Trifluoropropanethioamide
426796-01	3,3,3-Trifluoroalanine
sc-261128A	3,3,3-Trifluoropropionaldehyde
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide