4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one

C10H5BrClFN2O2 — CID 114676189

IUPAC4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc(Br)cc2F)c1Cl
InChIInChI=1S/C10H5BrClFN2O2/c11-5-1-2-7(6(13)3-5)17-10-8(12)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyZEMIYYSCIDCAHZ-UHFFFAOYSA-N
MW319.52 g/mol
LogP3.12
Rot. Bonds2

About 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one

4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one (PubChem CID 114676189) has the molecular formula C10H5BrClFN2O2 and a molecular weight of 319.52 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
PubChem CID114676189
Molecular FormulaC10H5BrClFN2O2
Molecular Weight319.52 g/mol
Exact Mass317.92
IUPAC Name4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc(Br)cc2F)c1Cl
InChIInChI=1S/C10H5BrClFN2O2/c11-5-1-2-7(6(13)3-5)17-10-8(12)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeyZEMIYYSCIDCAHZ-UHFFFAOYSA-N
XLogP3.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574379
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
CID 114676420
5-chloro-4-(4-chloronaphthalen-1-yl)oxy-1H-pyrimidin-6-one
CID 114676250
5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676307
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585927
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one (CID 114676189) is 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2ccc(Br)cc2F)c1Cl.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is ZEMIYYSCIDCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2O2/c11-5-1-2-7(6(13)3-5)17-10-8(12)9(16)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one?
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 319.52 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).