2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile

C13H9FN4O3 — CID 80912334

IUPAC2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H9FN4O3/c14-9-3-1-5-11(8(9)7-15)21-12-6-2-4-10(17-16)13(12)18(19)20/h1-6,17H,16H2
InChIKeySQIUEWLMEWISPM-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.68
Rot. Bonds4

About 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile

2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile (PubChem CID 80912334) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
PubChem CID80912334
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H9FN4O3/c14-9-3-1-5-11(8(9)7-15)21-12-6-2-4-10(17-16)13(12)18(19)20/h1-6,17H,16H2
InChIKeySQIUEWLMEWISPM-UHFFFAOYSA-N
XLogP2.68
TPSA114.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
CID 80918331
2-(2,5-dimethyl-4-nitrophenoxy)-6-fluorobenzonitrile
CID 78916032
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
2-[3-(methylamino)-2-nitrophenoxy]benzonitrile
CID 80863160
[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80911199
2-(3-cyano-4-nitrophenoxy)-6-fluorobenzonitrile
CID 115501499
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
[3-(3,4-dichlorophenoxy)-2-nitrophenyl]hydrazine
CID 80920158
2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile
CID 80898392
2-fluoro-6-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzonitrile
CID 133391512

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile (CID 80912334) is 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile is N#Cc1c(F)cccc1Oc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile?
The InChIKey is SQIUEWLMEWISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-9-3-1-5-11(8(9)7-15)21-12-6-2-4-10(17-16)13(12)18(19)20/h1-6,17H,16H2.
What are the key properties of 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile?
2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile has a molecular weight of 288.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile is sourced from PubChem (CID 80912334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).