2-ethylhexyl 6-chloropyrazine-2-carboxylate

C13H19ClN2O2 — CID 106547540

IUPAC2-ethylhexyl 6-chloropyrazine-2-carboxylate
SMILESCCCCC(CC)COC(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H19ClN2O2/c1-3-5-6-10(4-2)9-18-13(17)11-7-15-8-12(14)16-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMUFKVLCXNAHCGQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.50
Rot. Bonds7

About 2-ethylhexyl 6-chloropyrazine-2-carboxylate

2-ethylhexyl 6-chloropyrazine-2-carboxylate (PubChem CID 106547540) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-ethylhexyl 6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 6-chloropyrazine-2-carboxylate
PubChem CID106547540
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-ethylhexyl 6-chloropyrazine-2-carboxylate
SMILESCCCCC(CC)COC(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H19ClN2O2/c1-3-5-6-10(4-2)9-18-13(17)11-7-15-8-12(14)16-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMUFKVLCXNAHCGQ-UHFFFAOYSA-N
XLogP3.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
6-O-(2-ethylhexyl) 2-O-pentyl pyridine-2,6-dicarboxylate
CID 91725133
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
6-O-(2-ethylhexyl) 2-O-tetradecyl pyridine-2,6-dicarboxylate
CID 91724878
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl 2-amino-6-chlorobenzoate
CID 63663634
2-ethylhexyl 4-fluorobenzoate
CID 579252
bis(2-ethylhexyl) 5-sulfanylbenzene-1,3-dicarboxylate
CID 20610367
bis(2-ethylhexyl) benzene-1,4-dicarboxylate;2-methylpropan-1-ol
CID 157421675
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 6-chloropyrazine-2-carboxylate?
The IUPAC name of 2-ethylhexyl 6-chloropyrazine-2-carboxylate (CID 106547540) is 2-ethylhexyl 6-chloropyrazine-2-carboxylate.
What is the SMILES notation for 2-ethylhexyl 6-chloropyrazine-2-carboxylate?
The canonical SMILES for 2-ethylhexyl 6-chloropyrazine-2-carboxylate is CCCCC(CC)COC(=O)c1cncc(Cl)n1.
What is the InChIKey of 2-ethylhexyl 6-chloropyrazine-2-carboxylate?
The InChIKey is MUFKVLCXNAHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-5-6-10(4-2)9-18-13(17)11-7-15-8-12(14)16-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-ethylhexyl 6-chloropyrazine-2-carboxylate?
2-ethylhexyl 6-chloropyrazine-2-carboxylate has a molecular weight of 270.76 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 106547540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).