2-(3-bromophenyl)-1-pyrazin-2-ylethanol

C12H11BrN2O — CID 60798703

IUPAC2-(3-bromophenyl)-1-pyrazin-2-ylethanol
SMILESOC(Cc1cccc(Br)c1)c1cnccn1
InChIInChI=1S/C12H11BrN2O/c13-10-3-1-2-9(6-10)7-12(16)11-8-14-4-5-15-11/h1-6,8,12,16H,7H2
InChIKeySVLSARJCQOGXHM-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-bromophenyl)-1-pyrazin-2-ylethanol

2-(3-bromophenyl)-1-pyrazin-2-ylethanol (PubChem CID 60798703) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-pyrazin-2-ylethanol
PubChem CID60798703
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(3-bromophenyl)-1-pyrazin-2-ylethanol
SMILESOC(Cc1cccc(Br)c1)c1cnccn1
InChIInChI=1S/C12H11BrN2O/c13-10-3-1-2-9(6-10)7-12(16)11-8-14-4-5-15-11/h1-6,8,12,16H,7H2
InChIKeySVLSARJCQOGXHM-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739
3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
CID 97066688
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
3-(3-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine
CID 54971622
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66054291
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(3-bromophenyl)-1-pyrazin-2-ylethanol (CID 60798703) is 2-(3-bromophenyl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-pyrazin-2-ylethanol is OC(Cc1cccc(Br)c1)c1cnccn1.
What is the InChIKey of 2-(3-bromophenyl)-1-pyrazin-2-ylethanol?
The InChIKey is SVLSARJCQOGXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-3-1-2-9(6-10)7-12(16)11-8-14-4-5-15-11/h1-6,8,12,16H,7H2.
What are the key properties of 2-(3-bromophenyl)-1-pyrazin-2-ylethanol?
2-(3-bromophenyl)-1-pyrazin-2-ylethanol has a molecular weight of 279.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 60798703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).