2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile

C13H11FN4 — CID 80792103

IUPAC2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
SMILESCNc1cccc(Nc2cccc(F)c2C#N)n1
InChIInChI=1S/C13H11FN4/c1-16-12-6-3-7-13(18-12)17-11-5-2-4-10(14)9(11)8-15/h2-7H,1H3,(H2,16,17,18)
InChIKeyAFGLTVZFRILUDP-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.88
Rot. Bonds3

About 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile

2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile (PubChem CID 80792103) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
PubChem CID80792103
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
SMILESCNc1cccc(Nc2cccc(F)c2C#N)n1
InChIInChI=1S/C13H11FN4/c1-16-12-6-3-7-13(18-12)17-11-5-2-4-10(14)9(11)8-15/h2-7H,1H3,(H2,16,17,18)
InChIKeyAFGLTVZFRILUDP-UHFFFAOYSA-N
XLogP2.88
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80960789
N-(2-cyano-3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62240838
2-fluoro-6-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
CID 80906139
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
CID 80873989
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792495
2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80793758
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80986630
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80907497
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile (CID 80792103) is 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile is CNc1cccc(Nc2cccc(F)c2C#N)n1.
What is the InChIKey of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile?
The InChIKey is AFGLTVZFRILUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-16-12-6-3-7-13(18-12)17-11-5-2-4-10(14)9(11)8-15/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile?
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 80792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).