[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine

C10H9N5O3 — CID 80920516

IUPAC[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cccc([N+](=O)[O-])c2)ncn1
InChIInChI=1S/C10H9N5O3/c11-14-9-5-10(13-6-12-9)18-8-3-1-2-7(4-8)15(16)17/h1-6H,11H2,(H,12,13,14)
InChIKeyYVFVAKFNWAOEMN-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.46
Rot. Bonds4

About [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine

[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80920516) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80920516
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cccc([N+](=O)[O-])c2)ncn1
InChIInChI=1S/C10H9N5O3/c11-14-9-5-10(13-6-12-9)18-8-3-1-2-7(4-8)15(16)17/h1-6H,11H2,(H,12,13,14)
InChIKeyYVFVAKFNWAOEMN-UHFFFAOYSA-N
XLogP1.46
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.46
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-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
[3-(6-hydrazinylpyrimidin-4-yl)oxyphenyl]methanol
CID 80931261
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
N-(3-methoxyphenyl)-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 57431458
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
CID 114071582
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918

Frequently Asked Questions

What is the IUPAC name of [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine (CID 80920516) is [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine is NNc1cc(Oc2cccc([N+](=O)[O-])c2)ncn1.
What is the InChIKey of [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is YVFVAKFNWAOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-14-9-5-10(13-6-12-9)18-8-3-1-2-7(4-8)15(16)17/h1-6H,11H2,(H,12,13,14).
What are the key properties of [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine?
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 247.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).