6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine

C11H7BrFN3O3 — CID 80881860

IUPAC6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H7BrFN3O3/c12-6-1-3-9(7(13)5-6)19-11-8(16(17)18)2-4-10(14)15-11/h1-5H,(H2,14,15)
InChIKeyWENQNWUNKOBURN-UHFFFAOYSA-N
MW328.10 g/mol
LogP3.27
Rot. Bonds3

About 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine

6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine (PubChem CID 80881860) has the molecular formula C11H7BrFN3O3 and a molecular weight of 328.10 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
PubChem CID80881860
Molecular FormulaC11H7BrFN3O3
Molecular Weight328.10 g/mol
Exact Mass326.97
IUPAC Name6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H7BrFN3O3/c12-6-1-3-9(7(13)5-6)19-11-8(16(17)18)2-4-10(14)15-11/h1-5H,(H2,14,15)
InChIKeyWENQNWUNKOBURN-UHFFFAOYSA-N
XLogP3.27
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2-N-(4-bromo-2-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 80759954
2-(4-bromo-2-fluorophenoxy)-5-nitroaniline
CID 62508307
4-(4-bromo-2-fluorophenoxy)-3-nitrobenzenesulfonamide
CID 9112472
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80916853
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
1-(4-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 28971397

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine (CID 80881860) is 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine?
The InChIKey is WENQNWUNKOBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O3/c12-6-1-3-9(7(13)5-6)19-11-8(16(17)18)2-4-10(14)15-11/h1-5H,(H2,14,15).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine?
6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine has a molecular weight of 328.10 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80881860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).