4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one

C9H6BrN3O — CID 136842605

IUPAC4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cncc(Br)c2)nc[nH]1
InChIInChI=1S/C9H6BrN3O/c10-7-1-6(3-11-4-7)8-2-9(14)13-5-12-8/h1-5H,(H,12,13,14)
InChIKeyVIZIJFVCKLKYAI-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.59
Rot. Bonds1

About 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one

4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136842605) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136842605
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cncc(Br)c2)nc[nH]1
InChIInChI=1S/C9H6BrN3O/c10-7-1-6(3-11-4-7)8-2-9(14)13-5-12-8/h1-5H,(H,12,13,14)
InChIKeyVIZIJFVCKLKYAI-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-3-pyridinyl)phenol
CID 68606449
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
CID 159568727
5-bromopyridin-3-ol
CID 599529
4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
CID 53426314
5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one
CID 172593581
4-(4-chloro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769438
2-[3-(5-bromo-3-pyridinyl)-1H-pyrazol-5-yl]propan-2-ol
CID 166525534
4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136769371
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
4-[6-(2-propoxyethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
CID 175698048
2-[[4-(5-bromo-3-pyridinyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114223154

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one (CID 136842605) is 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one is O=c1cc(-c2cncc(Br)c2)nc[nH]1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is VIZIJFVCKLKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-7-1-6(3-11-4-7)8-2-9(14)13-5-12-8/h1-5H,(H,12,13,14).
What are the key properties of 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one?
4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 252.07 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136842605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).