[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine

C11H10BrN5O3 — CID 80920594

IUPAC[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cccc(Oc2nc(NN)ncc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C11H10BrN5O3/c1-6-3-2-4-8(9(6)17(18)19)20-10-7(12)5-14-11(15-10)16-13/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyCJIAHUXPIRJPLH-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.53
Rot. Bonds4

About [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine

[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80920594) has the molecular formula C11H10BrN5O3 and a molecular weight of 340.14 g/mol. Its IUPAC name is [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80920594
Molecular FormulaC11H10BrN5O3
Molecular Weight340.14 g/mol
Exact Mass339.00
IUPAC Name[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cccc(Oc2nc(NN)ncc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C11H10BrN5O3/c1-6-3-2-4-8(9(6)17(18)19)20-10-7(12)5-14-11(15-10)16-13/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyCJIAHUXPIRJPLH-UHFFFAOYSA-N
XLogP2.53
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.53
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

5-fluoro-N-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80874791
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
[4-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
3-bromo-4-(3-methyl-2-nitrophenoxy)pyridine
CID 113452205
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
5-bromo-N-ethyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875914
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
CID 102760816
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
5-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391332
8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391380

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 80920594) is [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is Cc1cccc(Oc2nc(NN)ncc2Br)c1[N+](=O)[O-].
What is the InChIKey of [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is CJIAHUXPIRJPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O3/c1-6-3-2-4-8(9(6)17(18)19)20-10-7(12)5-14-11(15-10)16-13/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 340.14 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80920594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).