5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine

C8H11ClN2O3 — CID 22248394

IUPAC5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine
SMILESCOc1nc(Cl)cnc1C(OC)OC
InChIInChI=1S/C8H11ClN2O3/c1-12-7-6(8(13-2)14-3)10-4-5(9)11-7/h4,8H,1-3H3
InChIKeySKYVDWADYZWTNO-UHFFFAOYSA-N
MW218.64 g/mol
LogP1.43
Rot. Bonds4

About 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine

5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine (PubChem CID 22248394) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine.

Molecular Properties

Compound Name5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine
PubChem CID22248394
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine
SMILESCOc1nc(Cl)cnc1C(OC)OC
InChIInChI=1S/C8H11ClN2O3/c1-12-7-6(8(13-2)14-3)10-4-5(9)11-7/h4,8H,1-3H3
InChIKeySKYVDWADYZWTNO-UHFFFAOYSA-N
XLogP1.43
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-(dimethoxymethyl)pyrimidine
CID 139536241
6-methoxy-5-propan-2-ylpyrazin-2-amine
CID 58233874
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 114853257
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine?
The IUPAC name of 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine (CID 22248394) is 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine.
What is the SMILES notation for 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine?
The canonical SMILES for 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine is COc1nc(Cl)cnc1C(OC)OC.
What is the InChIKey of 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine?
The InChIKey is SKYVDWADYZWTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c1-12-7-6(8(13-2)14-3)10-4-5(9)11-7/h4,8H,1-3H3.
What are the key properties of 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine?
5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine has a molecular weight of 218.64 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(dimethoxymethyl)-3-methoxypyrazine is sourced from PubChem (CID 22248394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).