6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione

C10H6BrClN2O2 — CID 82781408

IUPAC6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(Br)cc2Cl)[nH]c(=O)[nH]1
InChIInChI=1S/C10H6BrClN2O2/c11-5-1-2-6(7(12)3-5)8-4-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)
InChIKeyMCZXEUJFMJWEAS-UHFFFAOYSA-N
MW301.53 g/mol
LogP2.15
Rot. Bonds1

About 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione

6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 82781408) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID82781408
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC Name6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(Br)cc2Cl)[nH]c(=O)[nH]1
InChIInChI=1S/C10H6BrClN2O2/c11-5-1-2-6(7(12)3-5)8-4-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)
InChIKeyMCZXEUJFMJWEAS-UHFFFAOYSA-N
XLogP2.15
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione (CID 82781408) is 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione is O=c1cc(-c2ccc(Br)cc2Cl)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MCZXEUJFMJWEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-5-1-2-6(7(12)3-5)8-4-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16).
What are the key properties of 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione?
6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 301.53 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82781408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).