2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile

C13H10FN5O2 — CID 80898392

IUPAC2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile
SMILESN#Cc1c(F)cccc1Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN5O2/c14-12-2-1-3-13(11(12)7-15)17-8-4-9(18-16)6-10(5-8)19(20)21/h1-6,17-18H,16H2
InChIKeyWRFHQBRIRUMNJV-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.63
Rot. Bonds4

About 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile

2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile (PubChem CID 80898392) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile
PubChem CID80898392
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile
SMILESN#Cc1c(F)cccc1Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN5O2/c14-12-2-1-3-13(11(12)7-15)17-8-4-9(18-16)6-10(5-8)19(20)21/h1-6,17-18H,16H2
InChIKeyWRFHQBRIRUMNJV-UHFFFAOYSA-N
XLogP2.63
TPSA117.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.63
H-Bond Donors ≤ 53
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

5-bromo-2-(3-hydrazinyl-5-nitroanilino)benzonitrile
CID 82698059
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 83075238
2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
CID 80912334
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80907497
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
CID 71972950
4-chloro-2-(3-fluoro-5-nitroanilino)benzonitrile
CID 80748231

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile?
The IUPAC name of 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile (CID 80898392) is 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile is N#Cc1c(F)cccc1Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile?
The InChIKey is WRFHQBRIRUMNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c14-12-2-1-3-13(11(12)7-15)17-8-4-9(18-16)6-10(5-8)19(20)21/h1-6,17-18H,16H2.
What are the key properties of 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile?
2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile has a molecular weight of 287.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile is sourced from PubChem (CID 80898392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).