1-(5-chloro-6-methoxypyrazin-2-yl)ethanol

C7H9ClN2O2 — CID 166938259

IUPAC1-(5-chloro-6-methoxypyrazin-2-yl)ethanol
SMILESCOc1nc(C(C)O)cnc1Cl
InChIInChI=1S/C7H9ClN2O2/c1-4(11)5-3-9-6(8)7(10-5)12-2/h3-4,11H,1-2H3
InChIKeyNJFVYRZGNSHGGS-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.19
Rot. Bonds2

About 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol

1-(5-chloro-6-methoxypyrazin-2-yl)ethanol (PubChem CID 166938259) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-6-methoxypyrazin-2-yl)ethanol
PubChem CID166938259
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name1-(5-chloro-6-methoxypyrazin-2-yl)ethanol
SMILESCOc1nc(C(C)O)cnc1Cl
InChIInChI=1S/C7H9ClN2O2/c1-4(11)5-3-9-6(8)7(10-5)12-2/h3-4,11H,1-2H3
InChIKeyNJFVYRZGNSHGGS-UHFFFAOYSA-N
XLogP1.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol (CID 166938259) is 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol is COc1nc(C(C)O)cnc1Cl.
What is the InChIKey of 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol?
The InChIKey is NJFVYRZGNSHGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4(11)5-3-9-6(8)7(10-5)12-2/h3-4,11H,1-2H3.
What are the key properties of 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol?
1-(5-chloro-6-methoxypyrazin-2-yl)ethanol has a molecular weight of 188.61 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 166938259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).