2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

C15H10BrN3O — CID 135418402

IUPAC2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C15H10BrN3O/c16-12-3-1-2-11(8-12)15-18-13(9-14(20)19-15)10-4-6-17-7-5-10/h1-9H,(H,18,19,20)
InChIKeyZZKMDNPYECUMJL-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.26
Rot. Bonds2

About 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135418402) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135418402
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C15H10BrN3O/c16-12-3-1-2-11(8-12)15-18-13(9-14(20)19-15)10-4-6-17-7-5-10/h1-9H,(H,18,19,20)
InChIKeyZZKMDNPYECUMJL-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135418402) is 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ZZKMDNPYECUMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-12-3-1-2-11(8-12)15-18-13(9-14(20)19-15)10-4-6-17-7-5-10/h1-9H,(H,18,19,20).
What are the key properties of 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 328.17 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).