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

C10H9N5O3 — CID 80920432

IUPAC[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H9N5O3/c11-14-10-12-6-5-9(13-10)18-8-3-1-7(2-4-8)15(16)17/h1-6H,11H2,(H,12,13,14)
InChIKeyWNWNRLFBWNJTLH-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.46
Rot. Bonds4

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

[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80920432) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80920432
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H9N5O3/c11-14-10-12-6-5-9(13-10)18-8-3-1-7(2-4-8)15(16)17/h1-6H,11H2,(H,12,13,14)
InChIKeyWNWNRLFBWNJTLH-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-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
2-fluoro-4-(4-nitrophenoxy)pyrimidine
CID 133055231
[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 81499626
[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911648
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
CID 80916101
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80917841
[2-[(4-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260394
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874009

Frequently Asked Questions

What is the IUPAC name of [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 80920432) is [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine is NNc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is WNWNRLFBWNJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-14-10-12-6-5-9(13-10)18-8-3-1-7(2-4-8)15(16)17/h1-6H,11H2,(H,12,13,14).
What are the key properties of [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[4-(4-nitrophenoxy)pyrimidin-2-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 [4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80920432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).