2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile

C15H10FN5 — CID 169337850

IUPAC2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C15H10FN5/c16-12-5-1-2-6-13(12)19-14-7-3-4-8-15(14)21-20-11(9-17)10-18/h1-8,19,21H
InChIKeyNXOZHQPANRSXHM-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.38
Rot. Bonds4

About 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337850) has the molecular formula C15H10FN5 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337850
Molecular FormulaC15H10FN5
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C15H10FN5/c16-12-5-1-2-6-13(12)19-14-7-3-4-8-15(14)21-20-11(9-17)10-18/h1-8,19,21H
InChIKeyNXOZHQPANRSXHM-UHFFFAOYSA-N
XLogP3.38
TPSA84.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
CID 169338563
2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369
2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341724
2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169340874
2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169342072
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
2-[(4-ethynyl-2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169340845
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile (CID 169337850) is 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccccc1Nc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is NXOZHQPANRSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5/c16-12-5-1-2-6-13(12)19-14-7-3-4-8-15(14)21-20-11(9-17)10-18/h1-8,19,21H.
What are the key properties of 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 279.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).