3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile

C15H14FN3O — CID 115957951

IUPAC3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1c(F)cccc1CCN
InChIInChI=1S/C15H14FN3O/c16-13-5-1-3-11(6-7-17)15(13)20-10-12-4-2-8-19-14(12)9-18/h1-5,8H,6-7,10,17H2
InChIKeyGUSCMJXZBRKEJO-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.17
Rot. Bonds5

About 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile

3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 115957951) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID115957951
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1c(F)cccc1CCN
InChIInChI=1S/C15H14FN3O/c16-13-5-1-3-11(6-7-17)15(13)20-10-12-4-2-8-19-14(12)9-18/h1-5,8H,6-7,10,17H2
InChIKeyGUSCMJXZBRKEJO-UHFFFAOYSA-N
XLogP2.17
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 62894966
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid
CID 115956010
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[[2-(aminomethyl)-4-bromo-6-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 115960853
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 115952042

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile (CID 115957951) is 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1c(F)cccc1CCN.
What is the InChIKey of 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is GUSCMJXZBRKEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-13-5-1-3-11(6-7-17)15(13)20-10-12-4-2-8-19-14(12)9-18/h1-5,8H,6-7,10,17H2.
What are the key properties of 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 271.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115957951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).