N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline

C13H13FN4O3 — CID 80928610

IUPACN-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
SMILESCOc1ccc(F)c(Nc2cccc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C13H13FN4O3/c1-21-8-5-6-9(14)12(7-8)16-10-3-2-4-11(17-15)13(10)18(19)20/h2-7,16-17H,15H2,1H3
InChIKeyPAFQWSCJTFNTLI-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.77
Rot. Bonds5

About N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline

N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 80928610) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
PubChem CID80928610
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
SMILESCOc1ccc(F)c(Nc2cccc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C13H13FN4O3/c1-21-8-5-6-9(14)12(7-8)16-10-3-2-4-11(17-15)13(10)18(19)20/h2-7,16-17H,15H2,1H3
InChIKeyPAFQWSCJTFNTLI-UHFFFAOYSA-N
XLogP2.77
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.77
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

N-(2-bromo-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline
CID 80924191
N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80906963
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
3-N-(4-methoxyphenyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80768624
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
1-N-methyl-2-nitro-3-N-(2,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80803787
(2-fluoro-4-methoxyphenyl)hydrazine;nitric acid
CID 138619436
3-N-(5-chloro-2-fluorophenyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80773568
3-N-(5-bromo-2-fluorophenyl)-2-nitrobenzene-1,3-diamine
CID 80787648
3-hydrazinyl-N-(3-methylsulfanylphenyl)-2-nitroaniline
CID 80930417

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline (CID 80928610) is N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline is COc1ccc(F)c(Nc2cccc(NN)c2[N+](=O)[O-])c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is PAFQWSCJTFNTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-21-8-5-6-9(14)12(7-8)16-10-3-2-4-11(17-15)13(10)18(19)20/h2-7,16-17H,15H2,1H3.
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline?
N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 292.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80928610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).