2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile

C14H12FN3 — CID 78911103

IUPAC2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccnc1)c1cccc(F)c1C#N
InChIInChI=1S/C14H12FN3/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(15)12(14)8-16/h2-7,9H,10H2,1H3
InChIKeyBIBVWPUVSWPMSO-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.73
Rot. Bonds3

About 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile

2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile (PubChem CID 78911103) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
PubChem CID78911103
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccnc1)c1cccc(F)c1C#N
InChIInChI=1S/C14H12FN3/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(15)12(14)8-16/h2-7,9H,10H2,1H3
InChIKeyBIBVWPUVSWPMSO-UHFFFAOYSA-N
XLogP2.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 107533248
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
1-(2-cyano-3-fluorophenyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 2804366
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 33482990
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzonitrile
CID 47406299
2-[(5-bromofuran-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 55680940
2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 114067675
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 47281438

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile (CID 78911103) is 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile is CN(Cc1cccnc1)c1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
The InChIKey is BIBVWPUVSWPMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(15)12(14)8-16/h2-7,9H,10H2,1H3.
What are the key properties of 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile?
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 78911103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).