(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol

C13H13BrN2O2 — CID 113421466

IUPAC(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1ccc(C)cc1Br
InChIInChI=1S/C13H13BrN2O2/c1-8-3-4-9(10(14)7-8)12(17)11-13(18-2)16-6-5-15-11/h3-7,12,17H,1-2H3
InChIKeyNLERNMFBBPXYSK-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.64
Rot. Bonds3

About (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol

(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 113421466) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID113421466
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1ccc(C)cc1Br
InChIInChI=1S/C13H13BrN2O2/c1-8-3-4-9(10(14)7-8)12(17)11-13(18-2)16-6-5-15-11/h3-7,12,17H,1-2H3
InChIKeyNLERNMFBBPXYSK-UHFFFAOYSA-N
XLogP2.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514541
(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
CID 114020210
[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104515101
[(2-chloro-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 106860179
(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methanol
CID 113421458
(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660
(2,5-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 113230061
1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
CID 105124030

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol (CID 113421466) is (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)c1ccc(C)cc1Br.
What is the InChIKey of (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is NLERNMFBBPXYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-3-4-9(10(14)7-8)12(17)11-13(18-2)16-6-5-15-11/h3-7,12,17H,1-2H3.
What are the key properties of (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol?
(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 309.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 113421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).