[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine

C11H9BrFN5O3 — CID 103484708

IUPAC[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc(NN)n1
InChIInChI=1S/C11H9BrFN5O3/c1-5-2-10(16-11(15-5)17-14)21-9-4-7(13)6(12)3-8(9)18(19)20/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyXQXJDVQDNFFOHL-UHFFFAOYSA-N
MW358.13 g/mol
LogP2.67
Rot. Bonds4

About [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine

[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 103484708) has the molecular formula C11H9BrFN5O3 and a molecular weight of 358.13 g/mol. Its IUPAC name is [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID103484708
Molecular FormulaC11H9BrFN5O3
Molecular Weight358.13 g/mol
Exact Mass356.99
IUPAC Name[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc(NN)n1
InChIInChI=1S/C11H9BrFN5O3/c1-5-2-10(16-11(15-5)17-14)21-9-4-7(13)6(12)3-8(9)18(19)20/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyXQXJDVQDNFFOHL-UHFFFAOYSA-N
XLogP2.67
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.13
LogP ≤ 52.67
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'}

Analyze [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine 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

2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103483256
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 102989643
N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80870775
(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
CID 103483375
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
4-(4-bromo-5-fluoro-2-nitrophenoxy)aniline
CID 66110501
5-bromo-4-(4-bromo-5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 103483958
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine (CID 103484708) is [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])nc(NN)n1.
What is the InChIKey of [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is XQXJDVQDNFFOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN5O3/c1-5-2-10(16-11(15-5)17-14)21-9-4-7(13)6(12)3-8(9)18(19)20/h2-4H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 358.13 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103484708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).