3-Hydroxyisonicotinaldehyde

CAT: 0926-FH140303-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FH140303-01Size:10 g

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CAS Number

1849-54-3

MDL Number

MFCD01318565

Smiles

C1=CN=CC (=C1C=O) O

Molecular Formula

C6H5NO2

Molecular Weight

123.11 g/mol

Controlled

Chemical Information

3-Hydroxy-4-pyridinecarboxaldehyde

complexed with glutamic acid & Tc as possible cholescintigraphic agent

CAS Number	1849-54-3
PubChem CID	192747
IUPAC Name	3-hydroxypyridine-4-carbaldehyde
Molecular Formula	C6H5NO2
Molecular Weight	123.11
XLogP	0.5
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

C1=CN=CC(=C1C=O)O

InChI

InChI=1S/C6H5NO2/c8-4-5-1-2-7-3-6(5)9/h1-4,9H

InChIKey

NVLPDIRQWJSXLZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1849-54-3

CID: 192747

Formula: C6H5NO2

MW: 123.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.11
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	123.032028402
Monoisotopic Mass	123.032028402
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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
KSB80453-01	2-Chloro-5-hydroxyisonicotinaldehyde
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate
PID25565-01	3- (3,3,3-Trifluoropropyl) azetidine hydrochloride
VWB01274-01	3-[ (3,3,3-Trifluoropropyl) amino]propanenitrile

Catalog	Name
OR1056032-01	2-Chloro-3-hydroxyisonicotinaldehyde
PC1009554-01	2-fluoro-3-hydroxyisonicotinaldehyde
OR86752-01	2,6-Dichloro-3-hydroxyisonicotinaldehyde
OR939481-01	2-Chloro-5-hydroxyisonicotinaldehyde
OR81945-01	5-Bromo-2-hydroxyisonicotinaldehyde
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L	3',3',3'-cAAG
sc-261129	3,3,3-Trifluoropropionitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide