N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline

C12H11FN4O2 — CID 80927963

IUPACN-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C12H11FN4O2/c13-8-4-1-2-5-9(8)15-10-6-3-7-11(16-14)12(10)17(18)19/h1-7,15-16H,14H2
InChIKeyUIORGSPTEDXULU-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.76
Rot. Bonds4

About N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline

N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 80927963) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
PubChem CID80927963
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC NameN-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C12H11FN4O2/c13-8-4-1-2-5-9(8)15-10-6-3-7-11(16-14)12(10)17(18)19/h1-7,15-16H,14H2
InChIKeyUIORGSPTEDXULU-UHFFFAOYSA-N
XLogP2.76
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80906963
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80928610
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
3-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645666
4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411
3-hydrazinyl-N-(3-methylsulfanylphenyl)-2-nitroaniline
CID 80930417
1-N-methyl-2-nitro-3-N-(2,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80803787
2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
CID 80903969
N,3-difluoro-2-nitroaniline
CID 87619715
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline (CID 80927963) is N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline is NNc1cccc(Nc2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is UIORGSPTEDXULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-8-4-1-2-5-9(8)15-10-6-3-7-11(16-14)12(10)17(18)19/h1-7,15-16H,14H2.
What are the key properties of N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline?
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 262.24 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80927963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).