N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C11H9BrFN5O2 — CID 107639593

IUPACN-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C11H9BrFN5O2/c12-7-2-1-6(13)5-8(7)15-11-9(18(19)20)3-4-10(16-11)17-14/h1-5H,14H2,(H2,15,16,17)
InChIKeyFLZYMTFZMOVDQU-UHFFFAOYSA-N
MW342.13 g/mol
LogP2.92
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 107639593) has the molecular formula C11H9BrFN5O2 and a molecular weight of 342.13 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID107639593
Molecular FormulaC11H9BrFN5O2
Molecular Weight342.13 g/mol
Exact Mass340.99
IUPAC NameN-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C11H9BrFN5O2/c12-7-2-1-6(13)5-8(7)15-11-9(18(19)20)3-4-10(16-11)17-14/h1-5H,14H2,(H2,15,16,17)
InChIKeyFLZYMTFZMOVDQU-UHFFFAOYSA-N
XLogP2.92
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 52.92
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-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
2-N-(2-chloro-5-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107531868
2-N-(4-bromo-2,5-difluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107608390
2-N-(2-bromo-5-chlorophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 81255899
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 82802019
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
2-N-(4-fluoro-2-methoxyphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80785711
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 107639593) is N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine is NNc1ccc([N+](=O)[O-])c(Nc2cc(F)ccc2Br)n1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is FLZYMTFZMOVDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN5O2/c12-7-2-1-6(13)5-8(7)15-11-9(18(19)20)3-4-10(16-11)17-14/h1-5H,14H2,(H2,15,16,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 342.13 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 107639593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).