3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one

C10H6BrCl2N3O — CID 114583198

IUPAC3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1Cc1ccc(Br)cn1
InChIInChI=1S/C10H6BrCl2N3O/c11-6-1-2-7(14-3-6)4-16-5-15-9(13)8(12)10(16)17/h1-3,5H,4H2
InChIKeyRAMIEUNZIZHQPJ-UHFFFAOYSA-N
MW334.99 g/mol
LogP2.76
Rot. Bonds2

About 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one

3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one (PubChem CID 114583198) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
PubChem CID114583198
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1Cc1ccc(Br)cn1
InChIInChI=1S/C10H6BrCl2N3O/c11-6-1-2-7(14-3-6)4-16-5-15-9(13)8(12)10(16)17/h1-3,5H,4H2
InChIKeyRAMIEUNZIZHQPJ-UHFFFAOYSA-N
XLogP2.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102858179
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
CID 104809313
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one (CID 114583198) is 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1Cc1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one?
The InChIKey is RAMIEUNZIZHQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c11-6-1-2-7(14-3-6)4-16-5-15-9(13)8(12)10(16)17/h1-3,5H,4H2.
What are the key properties of 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one?
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one has a molecular weight of 334.99 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one is sourced from PubChem (CID 114583198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).