methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C17H17NO2 — CID 146246483

IUPACmethyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2cc(-c3ccccn3)ccc21
InChIInChI=1S/C17H17NO2/c1-20-17(19)15-6-4-5-12-11-13(8-9-14(12)15)16-7-2-3-10-18-16/h2-3,7-11,15H,4-6H2,1H3
InChIKeyMULPQFGOKNJTII-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds2

About methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate

methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 146246483) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID146246483
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2cc(-c3ccccn3)ccc21
InChIInChI=1S/C17H17NO2/c1-20-17(19)15-6-4-5-12-11-13(8-9-14(12)15)16-7-2-3-10-18-16/h2-3,7-11,15H,4-6H2,1H3
InChIKeyMULPQFGOKNJTII-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(5-pyridin-2-yl-2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
CID 139412578
methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 12778765
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
methyl 3-(4-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 138754844
6-ethynyl-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 159978818
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
8-methoxycarbonyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249826
2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 158912693
5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 137429773
3-pyridin-2-yl-5,6,7,8-tetrahydroquinoline
CID 10536433
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
CID 99842190

Frequently Asked Questions

What is the IUPAC name of methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 146246483) is methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COC(=O)C1CCCc2cc(-c3ccccn3)ccc21.
What is the InChIKey of methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is MULPQFGOKNJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)15-6-4-5-12-11-13(8-9-14(12)15)16-7-2-3-10-18-16/h2-3,7-11,15H,4-6H2,1H3.
What are the key properties of methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-pyridin-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 146246483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).