2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile

C15H13FN2O2 — CID 103939277

IUPAC2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
SMILESCC[C@@H](O)c1ccc(Oc2ccc(C#N)c(F)c2)cn1
InChIInChI=1S/C15H13FN2O2/c1-2-15(19)14-6-5-12(9-18-14)20-11-4-3-10(8-17)13(16)7-11/h3-7,9,15,19H,2H2,1H3/t15-/m1/s1
InChIKeyYOMJLYQXXZIYLC-OAHLLOKOSA-N
MW272.28 g/mol
LogP3.33
Rot. Bonds4

About 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile

2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile (PubChem CID 103939277) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
PubChem CID103939277
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
SMILESCC[C@@H](O)c1ccc(Oc2ccc(C#N)c(F)c2)cn1
InChIInChI=1S/C15H13FN2O2/c1-2-15(19)14-6-5-12(9-18-14)20-11-4-3-10(8-17)13(16)7-11/h3-7,9,15,19H,2H2,1H3/t15-/m1/s1
InChIKeyYOMJLYQXXZIYLC-OAHLLOKOSA-N
XLogP3.33
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940569
2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
CID 103960657
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939228
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 112585589
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile (CID 103939277) is 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile is CC[C@@H](O)c1ccc(Oc2ccc(C#N)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile?
The InChIKey is YOMJLYQXXZIYLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-2-15(19)14-6-5-12(9-18-14)20-11-4-3-10(8-17)13(16)7-11/h3-7,9,15,19H,2H2,1H3/t15-/m1/s1.
What are the key properties of 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile?
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile has a molecular weight of 272.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 103939277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).