methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate

C17H16FNO3 — CID 102335069

IUPACmethyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate
SMILESCOC(=O)CC[C@@H](C(=O)c1ccccn1)c1ccccc1F
InChIInChI=1S/C17H16FNO3/c1-22-16(20)10-9-13(12-6-2-3-7-14(12)18)17(21)15-8-4-5-11-19-15/h2-8,11,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyLJHUXARWRNGWFO-CYBMUJFWSA-N
MW301.32 g/mol
LogP3.14
Rot. Bonds6

About methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate

methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate (PubChem CID 102335069) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate.

Molecular Properties

Compound Namemethyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate
PubChem CID102335069
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namemethyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate
SMILESCOC(=O)CC[C@@H](C(=O)c1ccccn1)c1ccccc1F
InChIInChI=1S/C17H16FNO3/c1-22-16(20)10-9-13(12-6-2-3-7-14(12)18)17(21)15-8-4-5-11-19-15/h2-8,11,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyLJHUXARWRNGWFO-CYBMUJFWSA-N
XLogP3.14
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
CID 162412493
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
CID 115123515
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
methyl 5-(5-chloro-2-pyridinyl)-4-(3-iodophenyl)-5-oxopentanoate
CID 163468926
2-(2-fluorophenyl)pentanediamide
CID 20546135
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate?
The IUPAC name of methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate (CID 102335069) is methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate.
What is the SMILES notation for methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate?
The canonical SMILES for methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate is COC(=O)CC[C@@H](C(=O)c1ccccn1)c1ccccc1F.
What is the InChIKey of methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate?
The InChIKey is LJHUXARWRNGWFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-16(20)10-9-13(12-6-2-3-7-14(12)18)17(21)15-8-4-5-11-19-15/h2-8,11,13H,9-10H2,1H3/t13-/m1/s1.
What are the key properties of methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate?
methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate has a molecular weight of 301.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(2-fluorophenyl)-5-oxo-5-pyridin-2-ylpentanoate is sourced from PubChem (CID 102335069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).