ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate

C20H16Cl2N2O3 — CID 69142158

IUPACethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C20H16Cl2N2O3/c1-2-27-20(26)19-16(11-25)23-17(12-3-7-14(21)8-4-12)18(24-19)13-5-9-15(22)10-6-13/h3-10,25H,2,11H2,1H3
InChIKeyGXGAVNOWMWNJND-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.79
Rot. Bonds5

About ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate

ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate (PubChem CID 69142158) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
PubChem CID69142158
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC Nameethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C20H16Cl2N2O3/c1-2-27-20(26)19-16(11-25)23-17(12-3-7-14(21)8-4-12)18(24-19)13-5-9-15(22)10-6-13/h3-10,25H,2,11H2,1H3
InChIKeyGXGAVNOWMWNJND-UHFFFAOYSA-N
XLogP4.79
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate
CID 69142821
5,6-bis(4-chlorophenyl)-3-ethoxycarbonylpyrazine-2-carboxylic acid;2,3-bis(4-chlorophenyl)furo[3,4-b]pyrazine-5,7-dione
CID 87887897
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate
CID 69282792
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 4-(4-chlorophenyl)-6-methyl-2-(4-methylphenyl)sulfanylpyrimidine-5-carboxylate
CID 134843538
ethyl 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 123663096
ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 132531249
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate?
The IUPAC name of ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate (CID 69142158) is ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CO.
What is the InChIKey of ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate?
The InChIKey is GXGAVNOWMWNJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-2-27-20(26)19-16(11-25)23-17(12-3-7-14(21)8-4-12)18(24-19)13-5-9-15(22)10-6-13/h3-10,25H,2,11H2,1H3.
What are the key properties of ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate?
ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate has a molecular weight of 403.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 69142158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).