5-Methoxy-3-methylpicolinonitrile

CAT: 0127-OR1042132-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1042132-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1256792-12-7

MDL Number

MFCD18255402

Purity

97%

Smiles

CC1=CC(=CN=C1C#N)OC

Chemical Information

5-Methoxy-3-methylpicolinonitrile

CAS Number	1256792-12-7
PubChem CID	57326120
IUPAC Name	5-methoxy-3-methylpyridine-2-carbonitrile
Molecular Formula	C8H8N2O
Molecular Weight	148.16
XLogP	1.2
Topological Polar Surface Area	45.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	172

SMILES

CC1=CC(=CN=C1C#N)OC

InChI

InChI=1S/C8H8N2O/c1-6-3-7(11-2)5-10-8(6)4-9/h3,5H,1-2H3

InChIKey

DZMOOZGVHAPCHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256792-12-7

CID: 57326120

Formula: C8H8N2O

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	148.063662883
Monoisotopic Mass	148.063662883
Topological Polar Surface Area	45.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	172
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
OR1041199-01	3-Methoxy-6-methylpicolinonitrile
OR1082843-01	3-iodo-5-methylpicolinonitrile
OR1041364-01	5-Hydroxy-3-methylpicolinonitrile
PC1005113-01	5-Fluoro-3-methylpicolinonitrile
PC1016617-01	3,5-difluoro-4-methylpicolinonitrile
PC1005326-01	5-Fluoro-4-methylpicolinonitrile
OR931501-01	5-Bromo-6-methylpicolinonitrile
OR1001645	3-Bromo-6-chloro-5-methylpicolinonitrile
OR1073430-01	4-Amino-5-methylpicolinonitrile
OR1006868-01	4-Bromo-5-methylpicolinonitrile

Catalog	Name
TRC-M332970-25G	3-Methylpicolinonitrile
426467	3-Methylpicolinonitrile-d6
YWB89786-01	5-Bromo-6-methylpicolinonitrile
ATA84427-01	6-Bromo-5-methylpicolinonitrile
SDB84345-01	3-Bromo-4-methylpicolinonitrile
EFC33587-01	6-bromo-3-methylpicolinonitrile
abx181917-01	3-Bromo-6-methylpicolinonitrile
GTR19255195-01	4-Methylpicolinonitrile
HY-W002490-01	6-Methylpicolinonitrile
QDA67426	3-Methoxy-5-methylbenzaldehyde