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

C12H11BrN2O2 — CID 107373261

IUPAC[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1ccc(Br)cc1Oc1cnc(CO)cn1
InChIInChI=1S/C12H11BrN2O2/c1-8-2-3-9(13)4-11(8)17-12-6-14-10(7-16)5-15-12/h2-6,16H,7H2,1H3
InChIKeyBTXOQGMWNPLMIV-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.83
Rot. Bonds3

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

[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107373261) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
PubChem CID107373261
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1ccc(Br)cc1Oc1cnc(CO)cn1
InChIInChI=1S/C12H11BrN2O2/c1-8-2-3-9(13)4-11(8)17-12-6-14-10(7-16)5-15-12/h2-6,16H,7H2,1H3
InChIKeyBTXOQGMWNPLMIV-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

[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
[5-(4-bromophenoxy)pyrazin-2-yl]methanol
CID 107373072
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107285585
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol (CID 107373261) is [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol is Cc1ccc(Br)cc1Oc1cnc(CO)cn1.
What is the InChIKey of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is BTXOQGMWNPLMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-2-3-9(13)4-11(8)17-12-6-14-10(7-16)5-15-12/h2-6,16H,7H2,1H3.
What are the key properties of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol?
[5-(5-bromo-2-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-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).