2-Methoxypyrazine

CAT: 0127-OR911646-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR911646-01Size:25 g

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CAS Number

3149-28-8

MDL Number

MFCD00006126

Purity

97%

Smiles

COc1cnccn1

Chemical Information

2-Methoxypyrazine

Methoxypyrazine is an aromatic ether and a member of pyrazines.

CAS Number	3149-28-8
PubChem CID	18467
IUPAC Name	2-methoxypyrazine
Molecular Formula	C5H6N2O
Molecular Weight	110.11
XLogP	0.7
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	67

SMILES

COC1=NC=CN=C1

InChI

InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3

InChIKey

WKSXRWSOSLGSTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3149-28-8

CID: 18467

Formula: C5H6N2O

MW: 110.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	110.048012819
Monoisotopic Mass	110.048012819
Topological Polar Surface Area	35 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	67.4
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
PC1007266-01	2-Fluoro-3-methoxypyrazine
OR1068778-01	2-Iodo-6-methoxypyrazine
OR911656-01	2-Isopropyl-3-methoxypyrazine
OR61101-01	2-Chloro-3-methoxypyrazine
OR53017	2-Ethynyl-5-methoxypyrazine
OR53016-01	2-Ethynyl-3-methoxypyrazine
OR30423-01	2-isobutyl-3-methoxypyrazine
OR1050579-01	2- (Chloromethyl) -5-methoxypyrazine
BUP18734	2-Isobutyl-3-methoxypyrazine
OR301157-01	2-Amino-6-methoxypyrazine

Catalog	Name
M24247-01	2-Methoxypyrazine
HY-W010562S	2-Methoxypyrazine-d3
HY-W010562R-01	2-Methoxypyrazine (Standard)
FB142201-01	2-Bromo-3-methoxypyrazine
HBA20572-01	5-Methoxypyrazine-2-carbaldehyde
NBA78976-01	5-Methoxypyrazine-2-carbonitrile
WXB15690-01	2- (Chloromethyl) -5-methoxypyrazine
HY-W017141-01	2-Isobutyl-3-methoxypyrazine
261151-01	2-Amino-3-methoxypyrazine
TRC-I340605-500MG	2-Iodo-5-methoxypyrazine