methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate

C19H20FNO2 — CID 148952326

IUPACmethyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1CCC1CCCc2c(F)cccc21
InChIInChI=1S/C19H20FNO2/c1-23-19(22)16-10-11-21-12-14(16)9-8-13-4-2-6-17-15(13)5-3-7-18(17)20/h3,5,7,10-13H,2,4,6,8-9H2,1H3
InChIKeyPQESANYBVVSMNA-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.06
Rot. Bonds4

About methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate

methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate (PubChem CID 148952326) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate
PubChem CID148952326
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namemethyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1CCC1CCCc2c(F)cccc21
InChIInChI=1S/C19H20FNO2/c1-23-19(22)16-10-11-21-12-14(16)9-8-13-4-2-6-17-15(13)5-3-7-18(17)20/h3,5,7,10-13H,2,4,6,8-9H2,1H3
InChIKeyPQESANYBVVSMNA-UHFFFAOYSA-N
XLogP4.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 162211482
methyl 3-[2-[(1S)-6-(3-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 160959821
methyl 3-[2-[(1S)-6-[methyl-(5-methylpyrimidin-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 153237233
3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 159396673
methyl 3-[2-[(1S)-6-(N-methyl-4-pyrrolidin-1-ylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 146968711
methyl 3-[2-[(4R)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylate
CID 159424478
methyl 3-[2-[(4R)-7-(N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylate
CID 149173711
methyl 3-[2-[7-[cyclopentyl(methyl)amino]-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylate
CID 147554383
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 153125872
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84620948
3-[2-[(1S)-6-(3-fluoro-N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147742765
methyl 3-[2-[(4S)-7-thiophen-3-yl-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylate;methyl 3-[2-[(4R)-7-thiophen-3-yl-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylate
CID 160648099

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate (CID 148952326) is methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate is COC(=O)c1ccncc1CCC1CCCc2c(F)cccc21.
What is the InChIKey of methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate?
The InChIKey is PQESANYBVVSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-23-19(22)16-10-11-21-12-14(16)9-8-13-4-2-6-17-15(13)5-3-7-18(17)20/h3,5,7,10-13H,2,4,6,8-9H2,1H3.
What are the key properties of methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate?
methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate has a molecular weight of 313.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylate is sourced from PubChem (CID 148952326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).