2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate

C17H22N2O3 — CID 162249956

IUPAC2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate
SMILESCCc1ncc(C)nc1CC.COC(=O)c1ccccc1O
InChIInChI=1S/C9H14N2.C8H8O3/c1-4-8-9(5-2)11-7(3)6-10-8;1-11-8(10)6-4-2-3-5-7(6)9/h6H,4-5H2,1-3H3;2-5,9H,1H3
InChIKeyZXVUWQQCWAGHDA-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.09
Rot. Bonds3

About 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate

2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate (PubChem CID 162249956) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate
PubChem CID162249956
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate
SMILESCCc1ncc(C)nc1CC.COC(=O)c1ccccc1O
InChIInChI=1S/C9H14N2.C8H8O3/c1-4-8-9(5-2)11-7(3)6-10-8;1-11-8(10)6-4-2-3-5-7(6)9/h6H,4-5H2,1-3H3;2-5,9H,1H3
InChIKeyZXVUWQQCWAGHDA-UHFFFAOYSA-N
XLogP3.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
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CID 174888687
2-ethyl-6-methylpyridin-3-ol;2-hydroxybenzoic acid
CID 6611293
methyl 2-hydroxybenzoate;pyrimidine
CID 157250950
ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
CID 11186177
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
CID 103175372
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-hydroxybenzoate;phenylhydrazine
CID 159763478

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate?
The IUPAC name of 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate (CID 162249956) is 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate.
What is the SMILES notation for 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate?
The canonical SMILES for 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate is CCc1ncc(C)nc1CC.COC(=O)c1ccccc1O.
What is the InChIKey of 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate?
The InChIKey is ZXVUWQQCWAGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C8H8O3/c1-4-8-9(5-2)11-7(3)6-10-8;1-11-8(10)6-4-2-3-5-7(6)9/h6H,4-5H2,1-3H3;2-5,9H,1H3.
What are the key properties of 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate?
2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate has a molecular weight of 302.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate is sourced from PubChem (CID 162249956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).