[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine

C10H6BrCl2N5O3 — CID 107501836

IUPAC[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H6BrCl2N5O3/c11-4-3-15-10(17-14)16-9(4)21-8-2-6(13)5(12)1-7(8)18(19)20/h1-3H,14H2,(H,15,16,17)
InChIKeyNCNSLSOGRLAVNE-UHFFFAOYSA-N
MW395.00 g/mol
LogP3.53
Rot. Bonds4

About [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 107501836) has the molecular formula C10H6BrCl2N5O3 and a molecular weight of 395.00 g/mol. Its IUPAC name is [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID107501836
Molecular FormulaC10H6BrCl2N5O3
Molecular Weight395.00 g/mol
Exact Mass392.90
IUPAC Name[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H6BrCl2N5O3/c11-4-3-15-10(17-14)16-9(4)21-8-2-6(13)5(12)1-7(8)18(19)20/h1-3H,14H2,(H,15,16,17)
InChIKeyNCNSLSOGRLAVNE-UHFFFAOYSA-N
XLogP3.53
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.00
LogP ≤ 53.53
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-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
CID 107501354
5-bromo-4-(5-chloro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80872739
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920594
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
5-bromo-4-(2,5-difluoro-4-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80880025
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
CID 114045144
6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107501817

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 107501836) is [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is NNc1ncc(Br)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1.
What is the InChIKey of [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is NCNSLSOGRLAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N5O3/c11-4-3-15-10(17-14)16-9(4)21-8-2-6(13)5(12)1-7(8)18(19)20/h1-3H,14H2,(H,15,16,17).
What are the key properties of [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 395.00 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107501836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).