5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one

C15H10BrN3O2 — CID 79431022

IUPAC5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccnc2)nc(O)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrN3O2/c16-11-5-3-9(4-6-11)12-14(20)18-13(19-15(12)21)10-2-1-7-17-8-10/h1-8H,(H2,18,19,20,21)
InChIKeyDPDSIPQENIOSEK-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.97
Rot. Bonds2

About 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one

5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 79431022) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID79431022
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccnc2)nc(O)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrN3O2/c16-11-5-3-9(4-6-11)12-14(20)18-13(19-15(12)21)10-2-1-7-17-8-10/h1-8H,(H2,18,19,20,21)
InChIKeyDPDSIPQENIOSEK-UHFFFAOYSA-N
XLogP2.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431652
5-(4-bromophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889070
4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 63611953
5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437608
5-(4-bromophenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 103119900
5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 79430735
5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
CID 107972971
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115380790
5-(3-chlorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 79431769
disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
CID 139881687

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 79431022) is 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2cccnc2)nc(O)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is DPDSIPQENIOSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-11-5-3-9(4-6-11)12-14(20)18-13(19-15(12)21)10-2-1-7-17-8-10/h1-8H,(H2,18,19,20,21).
What are the key properties of 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 344.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79431022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).