6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine

C10H7BrN4O3 — CID 79827977

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7BrN4O3/c11-6-3-7(5-13-4-6)18-9-2-1-8(15(16)17)10(12)14-9/h1-5H,(H2,12,14)
InChIKeyISAPQJANNAUNLV-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.52
Rot. Bonds3

About 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine

6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine (PubChem CID 79827977) has the molecular formula C10H7BrN4O3 and a molecular weight of 311.10 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine
PubChem CID79827977
Molecular FormulaC10H7BrN4O3
Molecular Weight311.10 g/mol
Exact Mass309.97
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7BrN4O3/c11-6-3-7(5-13-4-6)18-9-2-1-8(15(16)17)10(12)14-9/h1-5H,(H2,12,14)
InChIKeyISAPQJANNAUNLV-UHFFFAOYSA-N
XLogP2.52
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-bromo-5-fluorophenoxy)-3-nitropyridin-2-amine
CID 81331466
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
3-[(5-bromo-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781366
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647
methyl 6-[(5-bromo-3-pyridinyl)oxy]-5-nitropyridine-2-carboxylate
CID 114403292
CID 157299402
CID 157299402
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443142
[6-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methanamine
CID 66466818
3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 79022162
6-(3-bromo-5-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 103470202

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine (CID 79827977) is 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine is Nc1nc(Oc2cncc(Br)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine?
The InChIKey is ISAPQJANNAUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O3/c11-6-3-7(5-13-4-6)18-9-2-1-8(15(16)17)10(12)14-9/h1-5H,(H2,12,14).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine?
6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine has a molecular weight of 311.10 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine is sourced from PubChem (CID 79827977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).