(5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol

C9H7ClN2OS — CID 63969635

IUPAC(5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClN2OS/c10-8-2-1-7(14-8)9(13)6-5-11-3-4-12-6/h1-5,9,13H
InChIKeyKCFVLBRLVAJMNR-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.27
Rot. Bonds2

About (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol

(5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 63969635) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID63969635
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClN2OS/c10-8-2-1-7(14-8)9(13)6-5-11-3-4-12-6/h1-5,9,13H
InChIKeyKCFVLBRLVAJMNR-UHFFFAOYSA-N
XLogP2.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol (CID 63969635) is (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is KCFVLBRLVAJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-8-2-1-7(14-8)9(13)6-5-11-3-4-12-6/h1-5,9,13H.
What are the key properties of (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
(5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol has a molecular weight of 226.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).