[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine

C10H8BrN5O3 — CID 81499626

IUPAC[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2c(Br)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8BrN5O3/c11-6-2-1-3-7(16(17)18)9(6)19-8-4-5-13-10(14-8)15-12/h1-5H,12H2,(H,13,14,15)
InChIKeyKQGUSQNSMSONMD-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.23
Rot. Bonds4

About [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine

[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 81499626) has the molecular formula C10H8BrN5O3 and a molecular weight of 326.11 g/mol. Its IUPAC name is [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID81499626
Molecular FormulaC10H8BrN5O3
Molecular Weight326.11 g/mol
Exact Mass324.98
IUPAC Name[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2c(Br)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8BrN5O3/c11-6-2-1-3-7(16(17)18)9(6)19-8-4-5-13-10(14-8)15-12/h1-5H,12H2,(H,13,14,15)
InChIKeyKQGUSQNSMSONMD-UHFFFAOYSA-N
XLogP2.23
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.23
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

[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 81496900
[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911648
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
CID 81499821
[4-(2,4-dibromophenoxy)pyrimidin-2-yl]hydrazine
CID 80922224
3-(2-bromo-6-nitrophenoxy)-5-nitroaniline
CID 81496661
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916966

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 81499626) is [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine is NNc1nccc(Oc2c(Br)cccc2[N+](=O)[O-])n1.
What is the InChIKey of [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is KQGUSQNSMSONMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O3/c11-6-2-1-3-7(16(17)18)9(6)19-8-4-5-13-10(14-8)15-12/h1-5H,12H2,(H,13,14,15).
What are the key properties of [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 326.11 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 81499626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).