methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate

C18H17NO2 — CID 58407462

IUPACmethyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cnccc1C)=CCC2
InChIInChI=1S/C18H17NO2/c1-12-8-9-19-11-17(12)15-5-3-4-13-6-7-14(10-16(13)15)18(20)21-2/h5-11H,3-4H2,1-2H3
InChIKeyFHKAUMMWLBGLAV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.55
Rot. Bonds2

About methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate

methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58407462) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58407462
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namemethyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cnccc1C)=CCC2
InChIInChI=1S/C18H17NO2/c1-12-8-9-19-11-17(12)15-5-3-4-13-6-7-14(10-16(13)15)18(20)21-2/h5-11H,3-4H2,1-2H3
InChIKeyFHKAUMMWLBGLAV-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
CID 58406598
methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407405
methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407203
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-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407020
8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406897
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406691
methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
CID 24829474
2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 130518036
N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406775

Frequently Asked Questions

What is the IUPAC name of methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (CID 58407462) is methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1cnccc1C)=CCC2.
What is the InChIKey of methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is FHKAUMMWLBGLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-8-9-19-11-17(12)15-5-3-4-13-6-7-14(10-16(13)15)18(20)21-2/h5-11H,3-4H2,1-2H3.
What are the key properties of methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58407462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).