(2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol

C9H6Cl2N2OS — CID 107969669

IUPAC(2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H6Cl2N2OS/c10-7-3-5(9(11)15-7)8(14)6-4-12-1-2-13-6/h1-4,8,14H
InChIKeyGDIYKSZIDVYUIC-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.93
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol

(2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol (PubChem CID 107969669) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol
PubChem CID107969669
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H6Cl2N2OS/c10-7-3-5(9(11)15-7)8(14)6-4-12-1-2-13-6/h1-4,8,14H
InChIKeyGDIYKSZIDVYUIC-UHFFFAOYSA-N
XLogP2.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazin-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745523
1-Pyrazin-2-yl-1-thiophen-3-ylpropan-1-ol
CID 60063967
2-(5-Chlorothiophen-2-yl)-1-pyrazin-2-ylethanol
CID 62607624
1-Pyrazin-2-yl-2-thiophen-3-ylethanol
CID 62608410
(3-Methylthiophen-2-yl)-pyrazin-2-ylmethanol
CID 63968173
(5-Chlorothiophen-2-yl)-pyrazin-2-ylmethanol
CID 63969635
(2,5-Dimethylthiophen-3-yl)-pyrazin-2-ylmethanol
CID 63970260
Pyrazin-2-yl(thiophen-3-yl)methanol
CID 63970675
(5-Methylthiophen-3-yl)-pyrazin-2-ylmethanol
CID 65099420
(4-Chlorothiophen-2-yl)-pyrazin-2-ylmethanol
CID 79426539
(4-Bromothiophen-3-yl)-pyrazin-2-ylmethanol
CID 79595844
(4-Methylthiophen-3-yl)-pyrazin-2-ylmethanol
CID 80230589

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol (CID 107969669) is (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol?
The InChIKey is GDIYKSZIDVYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-7-3-5(9(11)15-7)8(14)6-4-12-1-2-13-6/h1-4,8,14H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol?
(2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol has a molecular weight of 261.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 107969669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).