[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol

C12H8BrF3N2O — CID 63968386

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H8BrF3N2O/c13-7-1-2-8(9(5-7)12(14,15)16)11(19)10-6-17-3-4-18-10/h1-6,11,19H
InChIKeyXPPXZOMASJFIQR-UHFFFAOYSA-N
MW333.11 g/mol
LogP3.34
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol

[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol (PubChem CID 63968386) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
PubChem CID63968386
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H8BrF3N2O/c13-7-1-2-8(9(5-7)12(14,15)16)11(19)10-6-17-3-4-18-10/h1-6,11,19H
InChIKeyXPPXZOMASJFIQR-UHFFFAOYSA-N
XLogP3.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrazin-2-yl-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745523
[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104515101
(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
CID 107333317
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114643398
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol (CID 63968386) is [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol is OC(c1cnccn1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol?
The InChIKey is XPPXZOMASJFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-7-1-2-8(9(5-7)12(14,15)16)11(19)10-6-17-3-4-18-10/h1-6,11,19H.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol?
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol has a molecular weight of 333.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol is sourced from PubChem (CID 63968386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).