5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one

C10H5ClFN3O4 — CID 114676307

IUPAC5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(F)ccc2[N+](=O)[O-])c1Cl
InChIInChI=1S/C10H5ClFN3O4/c11-8-9(16)13-4-14-10(8)19-7-3-5(12)1-2-6(7)15(17)18/h1-4H,(H,13,14,16)
InChIKeyZRABGHMHQSEXAD-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.26
Rot. Bonds3

About 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one

5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one (PubChem CID 114676307) has the molecular formula C10H5ClFN3O4 and a molecular weight of 285.62 g/mol. Its IUPAC name is 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
PubChem CID114676307
Molecular FormulaC10H5ClFN3O4
Molecular Weight285.62 g/mol
Exact Mass285.00
IUPAC Name5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cc(F)ccc2[N+](=O)[O-])c1Cl
InChIInChI=1S/C10H5ClFN3O4/c11-8-9(16)13-4-14-10(8)19-7-3-5(12)1-2-6(7)15(17)18/h1-4H,(H,13,14,16)
InChIKeyZRABGHMHQSEXAD-UHFFFAOYSA-N
XLogP2.26
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.26
H-Bond Donors ≤ 51
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

5-chloro-4-(4,5-dichloro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 107501326
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
5-chloro-4-(2,4-dimethyl-6-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676370
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
5-chloro-4-(2-methoxy-5-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676324
5-chloro-4-(2-methyl-6-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676542
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-2-nitrobenzoic acid
CID 107077957
3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
CID 102760813
4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676504
5-chloro-4-(5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80875623
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one (CID 114676307) is 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2cc(F)ccc2[N+](=O)[O-])c1Cl.
What is the InChIKey of 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one?
The InChIKey is ZRABGHMHQSEXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O4/c11-8-9(16)13-4-14-10(8)19-7-3-5(12)1-2-6(7)15(17)18/h1-4H,(H,13,14,16).
What are the key properties of 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one?
5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one has a molecular weight of 285.62 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).