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

C9H7BrN2OS — CID 79595844

IUPAC(4-bromothiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cscc1Br
InChIInChI=1S/C9H7BrN2OS/c10-7-5-14-4-6(7)9(13)8-3-11-1-2-12-8/h1-5,9,13H
InChIKeyFLFHUUPYVSMDRV-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.38
Rot. Bonds2

About (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol

(4-bromothiophen-3-yl)-pyrazin-2-ylmethanol (PubChem CID 79595844) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-pyrazin-2-ylmethanol
PubChem CID79595844
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name(4-bromothiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cscc1Br
InChIInChI=1S/C9H7BrN2OS/c10-7-5-14-4-6(7)9(13)8-3-11-1-2-12-8/h1-5,9,13H
InChIKeyFLFHUUPYVSMDRV-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 (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol (CID 79595844) is (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
The InChIKey is FLFHUUPYVSMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c10-7-5-14-4-6(7)9(13)8-3-11-1-2-12-8/h1-5,9,13H.
What are the key properties of (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol?
(4-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 (4-bromothiophen-3-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 79595844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).