methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate

C16H14N2O2 — CID 58406598

IUPACmethyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cnccn1)=CCC2
InChIInChI=1S/C16H14N2O2/c1-20-16(19)12-6-5-11-3-2-4-13(14(11)9-12)15-10-17-7-8-18-15/h4-10H,2-3H2,1H3
InChIKeyMBFUNLMHQAQIIF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.64
Rot. Bonds2

About methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate

methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58406598) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58406598
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cnccn1)=CCC2
InChIInChI=1S/C16H14N2O2/c1-20-16(19)12-6-5-11-3-2-4-13(14(11)9-12)15-10-17-7-8-18-15/h4-10H,2-3H2,1H3
InChIKeyMBFUNLMHQAQIIF-UHFFFAOYSA-N
XLogP2.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407462
methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407203
methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407405
methyl 8-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407020
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 89076920
methyl 8-(4,6-dimethylcyclohepta-1,3,5-trien-1-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 143762358
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406691
methyl 4-[5-(3,4-dihydronaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]benzoate
CID 126762850
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507

Frequently Asked Questions

What is the IUPAC name of methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate (CID 58406598) is methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1cnccn1)=CCC2.
What is the InChIKey of methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is MBFUNLMHQAQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)12-6-5-11-3-2-4-13(14(11)9-12)15-10-17-7-8-18-15/h4-10H,2-3H2,1H3.
What are the key properties of methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58406598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).