5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide

C11H8N4O4 — CID 107588882

IUPAC5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O4/c16-8-1-2-10(15(18)19)9(3-8)11(17)14-7-4-12-6-13-5-7/h1-6,16H,(H,14,17)
InChIKeyNMLYWYKXEPYRCI-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.34
Rot. Bonds3

About 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide

5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide (PubChem CID 107588882) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
PubChem CID107588882
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8N4O4/c16-8-1-2-10(15(18)19)9(3-8)11(17)14-7-4-12-6-13-5-7/h1-6,16H,(H,14,17)
InChIKeyNMLYWYKXEPYRCI-UHFFFAOYSA-N
XLogP1.34
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.34
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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Related Compounds

5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
N-(3-ethynylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740276
N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide
CID 102740776
3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
CID 107590008
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
5-chloro-4-nitro-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 112524129
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
CID 102741517

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide (CID 107588882) is 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide is O=C(Nc1cncnc1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide?
The InChIKey is NMLYWYKXEPYRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-8-1-2-10(15(18)19)9(3-8)11(17)14-7-4-12-6-13-5-7/h1-6,16H,(H,14,17).
What are the key properties of 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide?
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide has a molecular weight of 260.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107588882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).