(4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol

C10H9BrN2OS — CID 102829555

IUPAC(4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCc1sc(C(O)c2cnccn2)cc1Br
InChIInChI=1S/C10H9BrN2OS/c1-6-7(11)4-9(15-6)10(14)8-5-12-2-3-13-8/h2-5,10,14H,1H3
InChIKeyHTQJSEOQNXTBES-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.69
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol

(4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 102829555) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID102829555
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCc1sc(C(O)c2cnccn2)cc1Br
InChIInChI=1S/C10H9BrN2OS/c1-6-7(11)4-9(15-6)10(14)8-5-12-2-3-13-8/h2-5,10,14H,1H3
InChIKeyHTQJSEOQNXTBES-UHFFFAOYSA-N
XLogP2.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721942
2-(4-Bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79722703
2-(5-Bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79722955
(3-Bromothiophen-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 80475801
2-(4-Bromothiophen-2-yl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 81602532
2-(5-Bromothiophen-2-yl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 81602631
2-(3-Bromothiophen-2-yl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 81602634
(3-Bromothiophen-2-yl)-(3-fluoro-2-pyridinyl)methanol
CID 81602724
3-[(5-Bromothiophen-3-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126175
3-[(4-Bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126590
3-[(4-Bromothiophen-2-yl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941547
(3-Bromothiophen-2-yl)-quinoxalin-2-ylmethanol
CID 113949506

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol (CID 102829555) is (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol is Cc1sc(C(O)c2cnccn2)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is HTQJSEOQNXTBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-7(11)4-9(15-6)10(14)8-5-12-2-3-13-8/h2-5,10,14H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
(4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol has a molecular weight of 285.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 102829555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).