N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine

C11H6BrCl2N3O2 — CID 114070862

IUPACN-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C11H6BrCl2N3O2/c12-8-3-6(13)1-2-9(8)15-11-5-7(17(18)19)4-10(14)16-11/h1-5H,(H,15,16)
InChIKeyRBXHEWYFNGHDAB-UHFFFAOYSA-N
MW363.00 g/mol
LogP4.80
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine

N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine (PubChem CID 114070862) has the molecular formula C11H6BrCl2N3O2 and a molecular weight of 363.00 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
PubChem CID114070862
Molecular FormulaC11H6BrCl2N3O2
Molecular Weight363.00 g/mol
Exact Mass360.90
IUPAC NameN-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C11H6BrCl2N3O2/c12-8-3-6(13)1-2-9(8)15-11-5-7(17(18)19)4-10(14)16-11/h1-5H,(H,15,16)
InChIKeyRBXHEWYFNGHDAB-UHFFFAOYSA-N
XLogP4.80
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.00
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

6-chloro-N-(2-fluoro-5-methylphenyl)-4-nitropyridin-2-amine
CID 114070777
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
CID 114070886
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
CID 81281101
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
2-bromo-N-[(2,4-dichlorophenyl)methyl]-4-nitroaniline
CID 43742260
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
8-bromo-2-chloro-6-nitroquinoline
CID 170331788

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine (CID 114070862) is N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(Nc2ccc(Cl)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine?
The InChIKey is RBXHEWYFNGHDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O2/c12-8-3-6(13)1-2-9(8)15-11-5-7(17(18)19)4-10(14)16-11/h1-5H,(H,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine?
N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine has a molecular weight of 363.00 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine is sourced from PubChem (CID 114070862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).