[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine

C10H7Br2N5O3 — CID 80921308

IUPAC[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(Oc2ccc(Br)cc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C10H7Br2N5O3/c11-5-1-2-7(6(12)3-5)20-10-8(17(18)19)9(16-13)14-4-15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyMRSQZAYZBVDWNP-UHFFFAOYSA-N
MW405.01 g/mol
LogP2.99
Rot. Bonds4

About [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine

[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80921308) has the molecular formula C10H7Br2N5O3 and a molecular weight of 405.01 g/mol. Its IUPAC name is [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80921308
Molecular FormulaC10H7Br2N5O3
Molecular Weight405.01 g/mol
Exact Mass402.89
IUPAC Name[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(Oc2ccc(Br)cc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C10H7Br2N5O3/c11-5-1-2-7(6(12)3-5)20-10-8(17(18)19)9(16-13)14-4-15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyMRSQZAYZBVDWNP-UHFFFAOYSA-N
XLogP2.99
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.01
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38740235
6-(2-bromo-4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38739779
[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80917047
6-(2-bromo-4-methoxyphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 104708854
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 80920876
N-(5-bromo-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898951
6-(3-bromophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725346
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
6-(4-bromophenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532481
6-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 22525695

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine (CID 80921308) is [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine is NNc1ncnc(Oc2ccc(Br)cc2Br)c1[N+](=O)[O-].
What is the InChIKey of [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is MRSQZAYZBVDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N5O3/c11-5-1-2-7(6(12)3-5)20-10-8(17(18)19)9(16-13)14-4-15-10/h1-4H,13H2,(H,14,15,16).
What are the key properties of [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 405.01 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80921308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).