pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate

C17H18FNO3 — CID 155039983

IUPACpyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate
SMILESCC[C@@H](O)C(C(=O)OCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-2-15(20)16(13-3-5-14(18)6-4-13)17(21)22-11-12-7-9-19-10-8-12/h3-10,15-16,20H,2,11H2,1H3/t15-,16?/m1/s1
InChIKeyVEYUOSKTDPZCBS-AAFJCEBUSA-N
MW303.33 g/mol
LogP2.82
Rot. Bonds6

About pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate

pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate (PubChem CID 155039983) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate.

Molecular Properties

Compound Namepyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate
PubChem CID155039983
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Namepyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate
SMILESCC[C@@H](O)C(C(=O)OCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-2-15(20)16(13-3-5-14(18)6-4-13)17(21)22-11-12-7-9-19-10-8-12/h3-10,15-16,20H,2,11H2,1H3/t15-,16?/m1/s1
InChIKeyVEYUOSKTDPZCBS-AAFJCEBUSA-N
XLogP2.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate?
The IUPAC name of pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate (CID 155039983) is pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate.
What is the SMILES notation for pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate?
The canonical SMILES for pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate is CC[C@@H](O)C(C(=O)OCc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate?
The InChIKey is VEYUOSKTDPZCBS-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-2-15(20)16(13-3-5-14(18)6-4-13)17(21)22-11-12-7-9-19-10-8-12/h3-10,15-16,20H,2,11H2,1H3/t15-,16?/m1/s1.
What are the key properties of pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate?
pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate has a molecular weight of 303.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl (3R)-2-(4-fluorophenyl)-3-hydroxypentanoate is sourced from PubChem (CID 155039983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).