methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate

C16H16N2O3 — CID 66455917

IUPACmethyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H16N2O3/c1-20-16(19)14-9-17-10-15(18-14)21-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3
InChIKeyFQEMDJDVNCYQMU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.93
Rot. Bonds3

About methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate

methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate (PubChem CID 66455917) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate
PubChem CID66455917
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H16N2O3/c1-20-16(19)14-9-17-10-15(18-14)21-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3
InChIKeyFQEMDJDVNCYQMU-UHFFFAOYSA-N
XLogP2.93
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)pyrazine
CID 60726088
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
CID 66457333
6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
CID 60791786
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridin-3-amine
CID 113424380
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate (CID 66455917) is methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate?
The InChIKey is FQEMDJDVNCYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-16(19)14-9-17-10-15(18-14)21-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3.
What are the key properties of methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate?
methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66455917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).