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

C16H16FN3O — CID 63888650

IUPAC4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNC(C)c1ccc(F)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C16H16FN3O/c1-11(19-2)15-4-3-13(17)8-16(15)21-10-12-5-6-20-14(7-12)9-18/h3-8,11,19H,10H2,1-2H3
InChIKeyIXUJHXFSMPHNJK-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.95
Rot. Bonds5

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

4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63888650) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63888650
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNC(C)c1ccc(F)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C16H16FN3O/c1-11(19-2)15-4-3-13(17)8-16(15)21-10-12-5-6-20-14(7-12)9-18/h3-8,11,19H,10H2,1-2H3
InChIKeyIXUJHXFSMPHNJK-UHFFFAOYSA-N
XLogP2.95
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.95
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-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 78953410
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[(2-amino-5-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63889015
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 107879395
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-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
4-[(5-fluoro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63885407
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 63888650) is 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile is CNC(C)c1ccc(F)cc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is IXUJHXFSMPHNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11(19-2)15-4-3-13(17)8-16(15)21-10-12-5-6-20-14(7-12)9-18/h3-8,11,19H,10H2,1-2H3.
What are the key properties of 4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 2.95, 5 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-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63888650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).