4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one

C10H5BrClFN2O — CID 136847705

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(Br)c(Cl)c2F)nc[nH]1
InChIInChI=1S/C10H5BrClFN2O/c11-6-2-1-5(10(13)9(6)12)7-3-8(16)15-4-14-7/h1-4H,(H,14,15,16)
InChIKeyVLWORNOLIDRYPH-UHFFFAOYSA-N
MW303.52 g/mol
LogP2.99
Rot. Bonds1

About 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one

4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 136847705) has the molecular formula C10H5BrClFN2O and a molecular weight of 303.52 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID136847705
Molecular FormulaC10H5BrClFN2O
Molecular Weight303.52 g/mol
Exact Mass301.93
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(Br)c(Cl)c2F)nc[nH]1
InChIInChI=1S/C10H5BrClFN2O/c11-6-2-1-5(10(13)9(6)12)7-3-8(16)15-4-14-7/h1-4H,(H,14,15,16)
InChIKeyVLWORNOLIDRYPH-UHFFFAOYSA-N
XLogP2.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one (CID 136847705) is 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc(Br)c(Cl)c2F)nc[nH]1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is VLWORNOLIDRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2O/c11-6-2-1-5(10(13)9(6)12)7-3-8(16)15-4-14-7/h1-4H,(H,14,15,16).
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one?
4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 303.52 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136847705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).