1-(3-chloropyrazin-2-yl)ethanol

C6H7ClN2O — CID 59852814

IUPAC1-(3-chloropyrazin-2-yl)ethanol
SMILESCC(O)c1nccnc1Cl
InChIInChI=1S/C6H7ClN2O/c1-4(10)5-6(7)9-3-2-8-5/h2-4,10H,1H3
InChIKeyNWKSGFFWCCTNSP-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.18
Rot. Bonds1

About 1-(3-chloropyrazin-2-yl)ethanol

1-(3-chloropyrazin-2-yl)ethanol (PubChem CID 59852814) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)ethanol
PubChem CID59852814
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name1-(3-chloropyrazin-2-yl)ethanol
SMILESCC(O)c1nccnc1Cl
InChIInChI=1S/C6H7ClN2O/c1-4(10)5-6(7)9-3-2-8-5/h2-4,10H,1H3
InChIKeyNWKSGFFWCCTNSP-UHFFFAOYSA-N
XLogP1.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)ethanol?
The IUPAC name of 1-(3-chloropyrazin-2-yl)ethanol (CID 59852814) is 1-(3-chloropyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)ethanol?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)ethanol is CC(O)c1nccnc1Cl.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)ethanol?
The InChIKey is NWKSGFFWCCTNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4(10)5-6(7)9-3-2-8-5/h2-4,10H,1H3.
What are the key properties of 1-(3-chloropyrazin-2-yl)ethanol?
1-(3-chloropyrazin-2-yl)ethanol has a molecular weight of 158.59 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)ethanol is sourced from PubChem (CID 59852814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).