2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile

C11H9FN6 — CID 80907497

IUPAC2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1c(F)cccc1Nc1cc(NN)ncn1
InChIInChI=1S/C11H9FN6/c12-8-2-1-3-9(7(8)5-13)17-10-4-11(18-14)16-6-15-10/h1-4,6H,14H2,(H2,15,16,17,18)
InChIKeyGELUROBHEWEYQA-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.52
Rot. Bonds3

About 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile

2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 80907497) has the molecular formula C11H9FN6 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
PubChem CID80907497
Molecular FormulaC11H9FN6
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
SMILESN#Cc1c(F)cccc1Nc1cc(NN)ncn1
InChIInChI=1S/C11H9FN6/c12-8-2-1-3-9(7(8)5-13)17-10-4-11(18-14)16-6-15-10/h1-4,6H,14H2,(H2,15,16,17,18)
InChIKeyGELUROBHEWEYQA-UHFFFAOYSA-N
XLogP1.52
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80793758
2-fluoro-6-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
CID 80906139
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
CID 80792103
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80960789
6-hydrazinyl-N-(2-iodophenyl)pyrimidin-4-amine
CID 80926315
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
4-chloro-3-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80926363
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80919229
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile (CID 80907497) is 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile is N#Cc1c(F)cccc1Nc1cc(NN)ncn1.
What is the InChIKey of 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is GELUROBHEWEYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6/c12-8-2-1-3-9(7(8)5-13)17-10-4-11(18-14)16-6-15-10/h1-4,6H,14H2,(H2,15,16,17,18).
What are the key properties of 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile?
2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 244.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 80907497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).