N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C11H8BrF2N5O2 — CID 80923986

IUPACN-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(Nc2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C11H8BrF2N5O2/c12-5-3-6(13)10(7(14)4-5)17-11-8(19(20)21)1-2-9(16-11)18-15/h1-4H,15H2,(H2,16,17,18)
InChIKeyUYQQDCOUURTNFB-UHFFFAOYSA-N
MW360.12 g/mol
LogP3.06
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80923986) has the molecular formula C11H8BrF2N5O2 and a molecular weight of 360.12 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80923986
Molecular FormulaC11H8BrF2N5O2
Molecular Weight360.12 g/mol
Exact Mass358.98
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(Nc2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C11H8BrF2N5O2/c12-5-3-6(13)10(7(14)4-5)17-11-8(19(20)21)1-2-9(16-11)18-15/h1-4H,15H2,(H2,16,17,18)
InChIKeyUYQQDCOUURTNFB-UHFFFAOYSA-N
XLogP3.06
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 53.06
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'}

Analyze N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 82802019
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyridin-2-amine
CID 80931237
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
2-N-(4-bromo-2-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 80759954
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine
CID 107647104
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617728
2-N-(4-bromo-2,5-difluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107608390
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80928418

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 80923986) is N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine is NNc1ccc([N+](=O)[O-])c(Nc2c(F)cc(Br)cc2F)n1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is UYQQDCOUURTNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N5O2/c12-5-3-6(13)10(7(14)4-5)17-11-8(19(20)21)1-2-9(16-11)18-15/h1-4H,15H2,(H2,16,17,18).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 360.12 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80923986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).