2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile

C10H7FN4 — CID 169337369

IUPAC2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cccc(F)c1NN=C(C#N)C#N
InChIInChI=1S/C10H7FN4/c1-7-3-2-4-9(11)10(7)15-14-8(5-12)6-13/h2-4,15H,1H3
InChIKeyBGIKUQWPXWZVDR-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.95
Rot. Bonds2

About 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile

2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337369) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169337369
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cccc(F)c1NN=C(C#N)C#N
InChIInChI=1S/C10H7FN4/c1-7-3-2-4-9(11)10(7)15-14-8(5-12)6-13/h2-4,15H,1H3
InChIKeyBGIKUQWPXWZVDR-UHFFFAOYSA-N
XLogP1.95
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339101
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339068
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341344
2-[2-(dicyanomethylidene)hydrazinyl]-6-methylbenzoic acid
CID 169337524
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
tert-butyl 4-[2-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]piperazine-1-carboxylate
CID 169340190
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile (CID 169337369) is 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile is Cc1cccc(F)c1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is BGIKUQWPXWZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c1-7-3-2-4-9(11)10(7)15-14-8(5-12)6-13/h2-4,15H,1H3.
What are the key properties of 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 202.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).