[6-(3-bromophenoxy)pyrazin-2-yl]methanol

C11H9BrN2O2 — CID 66466850

IUPAC[6-(3-bromophenoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H9BrN2O2/c12-8-2-1-3-10(4-8)16-11-6-13-5-9(7-15)14-11/h1-6,15H,7H2
InChIKeyKLTLBWNQBZZVRX-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.52
Rot. Bonds3

About [6-(3-bromophenoxy)pyrazin-2-yl]methanol

[6-(3-bromophenoxy)pyrazin-2-yl]methanol (PubChem CID 66466850) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is [6-(3-bromophenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-bromophenoxy)pyrazin-2-yl]methanol
PubChem CID66466850
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name[6-(3-bromophenoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H9BrN2O2/c12-8-2-1-3-10(4-8)16-11-6-13-5-9(7-15)14-11/h1-6,15H,7H2
InChIKeyKLTLBWNQBZZVRX-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-fluorophenoxy)pyrazin-2-yl]methanol
CID 66467083
(6-naphthalen-2-yloxypyrazin-2-yl)methanol
CID 66467314
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
[6-(4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467764
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
[6-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methanamine
CID 66466818
[6-(4-propan-2-ylphenoxy)pyrazin-2-yl]methanol
CID 66465264
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
CID 66467349
(6-quinolin-8-yloxypyrazin-2-yl)methanol
CID 66467992
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [6-(3-bromophenoxy)pyrazin-2-yl]methanol (CID 66466850) is [6-(3-bromophenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(3-bromophenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(3-bromophenoxy)pyrazin-2-yl]methanol is OCc1cncc(Oc2cccc(Br)c2)n1.
What is the InChIKey of [6-(3-bromophenoxy)pyrazin-2-yl]methanol?
The InChIKey is KLTLBWNQBZZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-2-1-3-10(4-8)16-11-6-13-5-9(7-15)14-11/h1-6,15H,7H2.
What are the key properties of [6-(3-bromophenoxy)pyrazin-2-yl]methanol?
[6-(3-bromophenoxy)pyrazin-2-yl]methanol has a molecular weight of 281.11 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 66466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).