(5-bromothiophen-3-yl)-pyrazin-2-ylmethanol

C9H7BrN2OS — CID 105099085

IUPAC(5-bromothiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1csc(Br)c1)c1cnccn1
InChIInChI=1S/C9H7BrN2OS/c10-8-3-6(5-14-8)9(13)7-4-11-1-2-12-7/h1-5,9,13H
InChIKeyKAHPOZQCCRUUTD-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.38
Rot. Bonds2

About (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol

(5-bromothiophen-3-yl)-pyrazin-2-ylmethanol (PubChem CID 105099085) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-pyrazin-2-ylmethanol
PubChem CID105099085
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name(5-bromothiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1csc(Br)c1)c1cnccn1
InChIInChI=1S/C9H7BrN2OS/c10-8-3-6(5-14-8)9(13)7-4-11-1-2-12-7/h1-5,9,13H
InChIKeyKAHPOZQCCRUUTD-UHFFFAOYSA-N
XLogP2.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.38
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
(5-Phenylthiophen-3-yl)-pyrazin-2-ylmethanol
CID 175696346
Pyrazin-2-yl(thiophen-2-yl)methanol
CID 61101892
2-(3-Bromothiophen-2-yl)-1-pyrazin-2-ylethanol
CID 62605955
2-(5-Bromothiophen-2-yl)-1-pyrazin-2-ylethanol
CID 62607623
1-Pyrazin-2-yl-2-thiophen-3-ylethanol
CID 62608410
2-(4-Bromothiophen-2-yl)-1-pyrazin-2-ylethanol
CID 62608775
(3-Methylthiophen-2-yl)-pyrazin-2-ylmethanol
CID 63968173
1-Pyrazin-2-yl-1-thiophen-2-ylethanol
CID 63968792
(5-Bromothiophen-2-yl)-pyrazin-2-ylmethanol
CID 63969845
(2,5-Dimethylthiophen-3-yl)-pyrazin-2-ylmethanol
CID 63970260

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol (CID 105099085) is (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol is OC(c1csc(Br)c1)c1cnccn1.
What is the InChIKey of (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
The InChIKey is KAHPOZQCCRUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c10-8-3-6(5-14-8)9(13)7-4-11-1-2-12-7/h1-5,9,13H.
What are the key properties of (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
(5-bromothiophen-3-yl)-pyrazin-2-ylmethanol has a molecular weight of 271.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 105099085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).