1-(4-nitrophenyl)pyrimidin-2-one

C10H7N3O3 — CID 59260079

IUPAC1-(4-nitrophenyl)pyrimidin-2-one
SMILESO=c1ncccn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7N3O3/c14-10-11-6-1-7-12(10)8-2-4-9(5-3-8)13(15)16/h1-7H
InChIKeyYTCZXQNPSIYXEA-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.14
Rot. Bonds2

About 1-(4-nitrophenyl)pyrimidin-2-one

1-(4-nitrophenyl)pyrimidin-2-one (PubChem CID 59260079) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 1-(4-nitrophenyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-nitrophenyl)pyrimidin-2-one
PubChem CID59260079
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name1-(4-nitrophenyl)pyrimidin-2-one
SMILESO=c1ncccn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7N3O3/c14-10-11-6-1-7-12(10)8-2-4-9(5-3-8)13(15)16/h1-7H
InChIKeyYTCZXQNPSIYXEA-UHFFFAOYSA-N
XLogP1.14
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-aminophenyl)pyrimidin-2-one
CID 59260073
[1-(4-nitrophenyl)pyrrol-2-yl]methanol
CID 894394
1-(4-nitrophenyl)sulfonylpyrazole
CID 737698
1-(4-nitrophenyl)pyrido[2,3-b]indole
CID 67500864
tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
CID 169013499
(5E)-3-ethyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2190711
N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine
CID 40532923
(Z)-1-[1-(4-nitrophenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5398415
5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2281234
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
1-(4-nitrophenyl)sulfonylimidazol-2-amine
CID 97349476
3-(4-nitrophenyl)-1H-imidazole-2-thione
CID 2760201

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)pyrimidin-2-one?
The IUPAC name of 1-(4-nitrophenyl)pyrimidin-2-one (CID 59260079) is 1-(4-nitrophenyl)pyrimidin-2-one.
What is the SMILES notation for 1-(4-nitrophenyl)pyrimidin-2-one?
The canonical SMILES for 1-(4-nitrophenyl)pyrimidin-2-one is O=c1ncccn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)pyrimidin-2-one?
The InChIKey is YTCZXQNPSIYXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-10-11-6-1-7-12(10)8-2-4-9(5-3-8)13(15)16/h1-7H.
What are the key properties of 1-(4-nitrophenyl)pyrimidin-2-one?
1-(4-nitrophenyl)pyrimidin-2-one has a molecular weight of 217.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)pyrimidin-2-one is sourced from PubChem (CID 59260079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).