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

C9H7ClN2OS — CID 79426539

IUPAC(4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cc(Cl)cs1
InChIInChI=1S/C9H7ClN2OS/c10-6-3-8(14-5-6)9(13)7-4-11-1-2-12-7/h1-5,9,13H
InChIKeyUPFZKUCIWUZOLC-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.27
Rot. Bonds2

About (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol

(4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 79426539) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID79426539
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cc(Cl)cs1
InChIInChI=1S/C9H7ClN2OS/c10-6-3-8(14-5-6)9(13)7-4-11-1-2-12-7/h1-5,9,13H
InChIKeyUPFZKUCIWUZOLC-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 (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol (CID 79426539) is (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1cc(Cl)cs1.
What is the InChIKey of (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is UPFZKUCIWUZOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-3-8(14-5-6)9(13)7-4-11-1-2-12-7/h1-5,9,13H.
What are the key properties of (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol?
(4-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 (4-chlorothiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 79426539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).