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

C14H12FN3 — CID 55233709

IUPAC5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccccn1)c1ccc(F)cc1C#N
InChIInChI=1S/C14H12FN3/c1-18(10-13-4-2-3-7-17-13)14-6-5-12(15)8-11(14)9-16/h2-8H,10H2,1H3
InChIKeyKLWUXOVRJLROOY-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.73
Rot. Bonds3

About 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile

5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile (PubChem CID 55233709) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
PubChem CID55233709
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccccn1)c1ccc(F)cc1C#N
InChIInChI=1S/C14H12FN3/c1-18(10-13-4-2-3-7-17-13)14-6-5-12(15)8-11(14)9-16/h2-8H,10H2,1H3
InChIKeyKLWUXOVRJLROOY-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

5-fluoro-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzonitrile
CID 63836383
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
2-[(4-aminophenyl)methyl-methylamino]-5-fluorobenzonitrile
CID 63673135
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
CID 133294688
5-fluoro-2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]benzonitrile
CID 133413095
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-fluorobenzonitrile
CID 55231921

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile (CID 55233709) is 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile is CN(Cc1ccccn1)c1ccc(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
The InChIKey is KLWUXOVRJLROOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-18(10-13-4-2-3-7-17-13)14-6-5-12(15)8-11(14)9-16/h2-8H,10H2,1H3.
What are the key properties of 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
5-fluoro-2-[methyl(pyridin-2-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 5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 55233709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).