8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one

C9H6BrClN2O — CID 146050186

IUPAC8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2cc(Br)ccn12
InChIInChI=1S/C9H6BrClN2O/c10-6-1-2-13-8(3-6)12-7(5-11)4-9(13)14/h1-4H,5H2
InChIKeySRHMYFBXAOFAIE-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.20
Rot. Bonds1

About 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one

8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 146050186) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID146050186
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2cc(Br)ccn12
InChIInChI=1S/C9H6BrClN2O/c10-6-1-2-13-8(3-6)12-7(5-11)4-9(13)14/h1-4H,5H2
InChIKeySRHMYFBXAOFAIE-UHFFFAOYSA-N
XLogP2.20
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898761
7-bromo-2,3-dimethylimidazo[1,2-a]pyridine;ethane
CID 143862133
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
(7-bromo-3-chloroimidazo[1,2-a]pyridin-2-yl)methanol
CID 156822587
7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 157427300
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 166609430
3-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 82530178
8-bromopyrido[1,2-a][1,3,5]triazin-4-one
CID 84690290
3-(7-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82529860
7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71469830
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 170900003

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 146050186) is 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCl)nc2cc(Br)ccn12.
What is the InChIKey of 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SRHMYFBXAOFAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c10-6-1-2-13-8(3-6)12-7(5-11)4-9(13)14/h1-4H,5H2.
What are the key properties of 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.52 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).