[5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol

C12H11BrN2O2 — CID 107373231

IUPAC[5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1cc(Oc2cnc(CO)cn2)ccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-4-10(2-3-11(8)13)17-12-6-14-9(7-16)5-15-12/h2-6,16H,7H2,1H3
InChIKeyZGDLHRGJCKHWOS-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.83
Rot. Bonds3

About [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol

[5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107373231) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol
PubChem CID107373231
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name[5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1cc(Oc2cnc(CO)cn2)ccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-4-10(2-3-11(8)13)17-12-6-14-9(7-16)5-15-12/h2-6,16H,7H2,1H3
InChIKeyZGDLHRGJCKHWOS-UHFFFAOYSA-N
XLogP2.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{4-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol
CID 24229691
[5-(4-Fluoro-2-methylphenoxy)pyrazin-2-yl]methanol
CID 113951479
[3-Bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol
CID 118679538
[5-(2-Fluoro-4-methylphenoxy)pyrazin-2-yl]methanol
CID 146526310
[5-(2-Fluoro-6-methylphenoxy)pyrazin-2-yl]methanol
CID 146526452
(2R,3R,4S,5S)-2-[(4-bromo-3-methylphenoxy)methyl]-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556849
2-(3-Bromo-5-methylphenoxy)-5-(trifluoromethyl)pyrazine
CID 176233486
3-(4-Bromo-3-fluorophenoxy)-2,5-dimethylpyrazine
CID 65417750
[6-(4-Bromo-3-fluorophenoxy)pyrazin-2-yl]methanol
CID 66465274
[6-[3-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
CID 66465494
[6-[4-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
CID 66466625
[6-[2-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
CID 66467990

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol (CID 107373231) is [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol is Cc1cc(Oc2cnc(CO)cn2)ccc1Br.
What is the InChIKey of [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is ZGDLHRGJCKHWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-4-10(2-3-11(8)13)17-12-6-14-9(7-16)5-15-12/h2-6,16H,7H2,1H3.
What are the key properties of [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol?
[5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol has a molecular weight of 295.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-3-methylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).