2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol

C13H13ClN2O — CID 106867263

IUPAC2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
SMILESCc1ccc(CC(O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9-2-3-10(11(14)6-9)7-13(17)12-8-15-4-5-16-12/h2-6,8,13,17H,7H2,1H3
InChIKeyYWODSHMYNJGBHT-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.71
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol

2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol (PubChem CID 106867263) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
PubChem CID106867263
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
SMILESCc1ccc(CC(O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9-2-3-10(11(14)6-9)7-13(17)12-8-15-4-5-16-12/h2-6,8,13,17H,7H2,1H3
InChIKeyYWODSHMYNJGBHT-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(5-chloro-1,3-thiazol-2-yl)ethanol
CID 107124945
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
[2-(2-chloro-4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 106871395
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 106866193
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol (CID 106867263) is 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol is Cc1ccc(CC(O)c2cnccn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol?
The InChIKey is YWODSHMYNJGBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-2-3-10(11(14)6-9)7-13(17)12-8-15-4-5-16-12/h2-6,8,13,17H,7H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol?
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol has a molecular weight of 248.71 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 106867263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).