[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol

C13H10BrF3N2O2 — CID 104515101

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H10BrF3N2O2/c1-21-12-10(18-4-5-19-12)11(20)8-3-2-7(14)6-9(8)13(15,16)17/h2-6,11,20H,1H3
InChIKeyJRYGKGZQXZEHIB-UHFFFAOYSA-N
MW363.13 g/mol
LogP3.35
Rot. Bonds3

About [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol

[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol (PubChem CID 104515101) has the molecular formula C13H10BrF3N2O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
PubChem CID104515101
Molecular FormulaC13H10BrF3N2O2
Molecular Weight363.13 g/mol
Exact Mass361.99
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H10BrF3N2O2/c1-21-12-10(18-4-5-19-12)11(20)8-3-2-7(14)6-9(8)13(15,16)17/h2-6,11,20H,1H3
InChIKeyJRYGKGZQXZEHIB-UHFFFAOYSA-N
XLogP3.35
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 113421466
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
CID 63968386
(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
CID 114020210
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114643398
methyl 3-[4-bromo-2-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865195
(2,5-dimethylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514541
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
CID 107333317
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol (CID 104515101) is [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is JRYGKGZQXZEHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2/c1-21-12-10(18-4-5-19-12)11(20)8-3-2-7(14)6-9(8)13(15,16)17/h2-6,11,20H,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 363.13 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 104515101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).