ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate

C19H21NO2 — CID 71653208

IUPACethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)CCCC3)nc1C
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)17-10-11-18(20-13(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h8-12H,3-7H2,1-2H3
InChIKeyYEPBVHLBQRGGAD-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.11
Rot. Bonds3

About ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate

ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate (PubChem CID 71653208) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
PubChem CID71653208
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)CCCC3)nc1C
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)17-10-11-18(20-13(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h8-12H,3-7H2,1-2H3
InChIKeyYEPBVHLBQRGGAD-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
diethyl 2-methyl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]furan-3,4-dicarboxylate
CID 108776192
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 2-methyl-5-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-5-yl]-1H-pyrrole-3-carboxylate
CID 171984390
ethyl 6-(5-ethoxycarbonyl-6-nitro-2-pyridinyl)-2-methylpyridine-3-carboxylate
CID 54542288
ethyl 6-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate (CID 71653208) is ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc3c(c2)CCCC3)nc1C.
What is the InChIKey of ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate?
The InChIKey is YEPBVHLBQRGGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-22-19(21)17-10-11-18(20-13(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h8-12H,3-7H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate?
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 71653208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).