4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile

C15H14FN3O — CID 78953410

IUPAC4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESC[C@H](N)c1ccc(F)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H14FN3O/c1-10(18)14-3-2-12(16)7-15(14)20-9-11-4-5-19-13(6-11)8-17/h2-7,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyNKUNZUIPZLTAFO-JTQLQIEISA-N
MW271.30 g/mol
LogP2.69
Rot. Bonds4

About 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile

4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 78953410) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID78953410
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESC[C@H](N)c1ccc(F)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H14FN3O/c1-10(18)14-3-2-12(16)7-15(14)20-9-11-4-5-19-13(6-11)8-17/h2-7,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyNKUNZUIPZLTAFO-JTQLQIEISA-N
XLogP2.69
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882157
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861
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-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile (CID 78953410) is 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile is C[C@H](N)c1ccc(F)cc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is NKUNZUIPZLTAFO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10(18)14-3-2-12(16)7-15(14)20-9-11-4-5-19-13(6-11)8-17/h2-7,10H,9,18H2,1H3/t10-/m0/s1.
What are the key properties of 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile?
4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 271.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 78953410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).