2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile

C10H6FN5O3 — CID 169341455

IUPAC2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCOc1cc([N+](=O)[O-])c(NN=C(C#N)C#N)cc1F
InChIInChI=1S/C10H6FN5O3/c1-19-10-3-9(16(17)18)8(2-7(10)11)15-14-6(4-12)5-13/h2-3,15H,1H3
InChIKeyOBNMZFQYRTWXBY-UHFFFAOYSA-N
MW263.19 g/mol
LogP1.56
Rot. Bonds4

About 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341455) has the molecular formula C10H6FN5O3 and a molecular weight of 263.19 g/mol. Its IUPAC name is 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID169341455
Molecular FormulaC10H6FN5O3
Molecular Weight263.19 g/mol
Exact Mass263.05
IUPAC Name2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCOc1cc([N+](=O)[O-])c(NN=C(C#N)C#N)cc1F
InChIInChI=1S/C10H6FN5O3/c1-19-10-3-9(16(17)18)8(2-7(10)11)15-14-6(4-12)5-13/h2-3,15H,1H3
InChIKeyOBNMZFQYRTWXBY-UHFFFAOYSA-N
XLogP1.56
TPSA124.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-4-methoxy-2-nitroanilino)methylidene]propanedinitrile
CID 168545035
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169342003
2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]propanedinitrile
CID 56695479
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
2-[(3,4-difluoro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341897
2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340812
2-[(2-bromo-3,4-difluoro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341384
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
2-[(2,2-dimethyl-7-nitrochromen-6-yl)hydrazinylidene]propanedinitrile
CID 169339232

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile (CID 169341455) is 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile is COc1cc([N+](=O)[O-])c(NN=C(C#N)C#N)cc1F.
What is the InChIKey of 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is OBNMZFQYRTWXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O3/c1-19-10-3-9(16(17)18)8(2-7(10)11)15-14-6(4-12)5-13/h2-3,15H,1H3.
What are the key properties of 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 263.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).