2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile

C17H15FN2O — CID 118930065

IUPAC2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile
SMILESC=Cc1cc(-c2cncc(F)c2C(O)CC)ccc1C#N
InChIInChI=1S/C17H15FN2O/c1-3-11-7-12(5-6-13(11)8-19)14-9-20-10-15(18)17(14)16(21)4-2/h3,5-7,9-10,16,21H,1,4H2,2H3
InChIKeyBHFITDVECWCTLS-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.85
Rot. Bonds4

About 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile

2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile (PubChem CID 118930065) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile
PubChem CID118930065
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile
SMILESC=Cc1cc(-c2cncc(F)c2C(O)CC)ccc1C#N
InChIInChI=1S/C17H15FN2O/c1-3-11-7-12(5-6-13(11)8-19)14-9-20-10-15(18)17(14)16(21)4-2/h3,5-7,9-10,16,21H,1,4H2,2H3
InChIKeyBHFITDVECWCTLS-UHFFFAOYSA-N
XLogP3.85
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Phenyl-4-pyridinemethanol
CID 98305
(+)--5-Hydroxy-3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-9-carbonitrile
CID 10018269
(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504
5-(4-Fluorophenyl)-2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10065071
2-Hydroxy-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-12-carbonitrile
CID 10448221
(2,6-Diethylphenyl)(3-pyridinyl)methanol
CID 3610631
2-Hydroxy-5-(3-methylphenyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10041930
2-Hydroxy-5-(2-methylphenyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10064842
5-(3-Fluorophenyl)-2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10336609
5-(2-Fluorophenyl)-2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10449157
2-Hydroxy-5-(4-methylphenyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 45485419
(2-Methylphenyl)(3-pyridinyl)methanol
CID 4179630

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile (CID 118930065) is 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile is C=Cc1cc(-c2cncc(F)c2C(O)CC)ccc1C#N.
What is the InChIKey of 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile?
The InChIKey is BHFITDVECWCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-3-11-7-12(5-6-13(11)8-19)14-9-20-10-15(18)17(14)16(21)4-2/h3,5-7,9-10,16,21H,1,4H2,2H3.
What are the key properties of 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile?
2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-[5-fluoro-4-(1-hydroxypropyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 118930065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).