4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one

C10H6IN3O4 — CID 66287184

IUPAC4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc(O)c1I
InChIInChI=1S/C10H6IN3O4/c11-7-9(15)12-8(13-10(7)16)5-2-1-3-6(4-5)14(17)18/h1-4H,(H2,12,13,15,16)
InChIKeyMJIHPNZUQJFWOP-UHFFFAOYSA-N
MW359.08 g/mol
LogP1.66
Rot. Bonds2

About 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one (PubChem CID 66287184) has the molecular formula C10H6IN3O4 and a molecular weight of 359.08 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
PubChem CID66287184
Molecular FormulaC10H6IN3O4
Molecular Weight359.08 g/mol
Exact Mass358.94
IUPAC Name4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc(O)c1I
InChIInChI=1S/C10H6IN3O4/c11-7-9(15)12-8(13-10(7)16)5-2-1-3-6(4-5)14(17)18/h1-4H,(H2,12,13,15,16)
InChIKeyMJIHPNZUQJFWOP-UHFFFAOYSA-N
XLogP1.66
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.08
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
CID 66315548
2-(3-nitrophenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941302
5,10-diiodo-2-(3-nitrophenyl)-1H-phenanthro[9,10-d]imidazole
CID 3106584
2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
CID 14183090
2-(3-nitrophenyl)-1H-quinazoline-4-thione
CID 101182954
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
N,N-dimethylformamide;8-(3-nitrophenyl)-1,7-dihydropurin-6-one
CID 135491109
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
5-bromo-2-(3-nitrophenyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480138

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one (CID 66287184) is 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one?
The InChIKey is MJIHPNZUQJFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6IN3O4/c11-7-9(15)12-8(13-10(7)16)5-2-1-3-6(4-5)14(17)18/h1-4H,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one has a molecular weight of 359.08 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66287184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).