4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile

C15H13FN2O2 — CID 63882157

IUPAC4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC(O)c1ccc(F)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H13FN2O2/c1-10(19)14-3-2-12(16)7-15(14)20-9-11-4-5-18-13(6-11)8-17/h2-7,10,19H,9H2,1H3
InChIKeyLFEIWZQKWMHKHZ-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.72
Rot. Bonds4

About 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63882157) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63882157
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC(O)c1ccc(F)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H13FN2O2/c1-10(19)14-3-2-12(16)7-15(14)20-9-11-4-5-18-13(6-11)8-17/h2-7,10,19H,9H2,1H3
InChIKeyLFEIWZQKWMHKHZ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 78953410
4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888650
4-[(2-amino-5-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63889015
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
4-[(5-fluoro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63885407
1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 63068020

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63882157) is 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile is CC(O)c1ccc(F)cc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is LFEIWZQKWMHKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-10(19)14-3-2-12(16)7-15(14)20-9-11-4-5-18-13(6-11)8-17/h2-7,10,19H,9H2,1H3.
What are the key properties of 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 272.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).