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

C9H7BrN2OS — CID 63969845

IUPAC(5-bromothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Br)s1
InChIInChI=1S/C9H7BrN2OS/c10-8-2-1-7(14-8)9(13)6-5-11-3-4-12-6/h1-5,9,13H
InChIKeyIGSUUDWMKZIHAS-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.38
Rot. Bonds2

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

(5-bromothiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 63969845) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID63969845
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name(5-bromothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Br)s1
InChIInChI=1S/C9H7BrN2OS/c10-8-2-1-7(14-8)9(13)6-5-11-3-4-12-6/h1-5,9,13H
InChIKeyIGSUUDWMKZIHAS-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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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol (CID 63969845) is (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is IGSUUDWMKZIHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/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-bromothiophen-2-yl)-pyrazin-2-ylmethanol?
(5-bromothiophen-2-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-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63969845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).