N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine

C10H8N4O3 — CID 5177733

IUPACN-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine
SMILESO=[N+]([O-])c1ccc(-c2cnc(NO)nc2)cc1
InChIInChI=1S/C10H8N4O3/c15-13-10-11-5-8(6-12-10)7-1-3-9(4-2-7)14(16)17/h1-6,15H,(H,11,12,13)
InChIKeyWYIJGMIZURWDMH-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.85
Rot. Bonds3

About N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine

N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine (PubChem CID 5177733) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine
PubChem CID5177733
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC NameN-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine
SMILESO=[N+]([O-])c1ccc(-c2cnc(NO)nc2)cc1
InChIInChI=1S/C10H8N4O3/c15-13-10-11-5-8(6-12-10)7-1-3-9(4-2-7)14(16)17/h1-6,15H,(H,11,12,13)
InChIKeyWYIJGMIZURWDMH-UHFFFAOYSA-N
XLogP1.85
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine?
The IUPAC name of N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine (CID 5177733) is N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine.
What is the SMILES notation for N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine?
The canonical SMILES for N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine is O=[N+]([O-])c1ccc(-c2cnc(NO)nc2)cc1.
What is the InChIKey of N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine?
The InChIKey is WYIJGMIZURWDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-13-10-11-5-8(6-12-10)7-1-3-9(4-2-7)14(16)17/h1-6,15H,(H,11,12,13).
What are the key properties of N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine?
N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine has a molecular weight of 232.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-nitrophenyl)pyrimidin-2-yl]hydroxylamine is sourced from PubChem (CID 5177733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).