3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one

C10H9BrN2O2 — CID 67509636

IUPAC3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(CCO)nc2ccccn12
InChIInChI=1S/C10H9BrN2O2/c11-9-7(4-6-14)12-8-3-1-2-5-13(8)10(9)15/h1-3,5,14H,4,6H2
InChIKeySVLDTIJNLZDIBV-UHFFFAOYSA-N
MW269.10 g/mol
LogP0.99
Rot. Bonds2

About 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one

3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 67509636) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID67509636
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(CCO)nc2ccccn12
InChIInChI=1S/C10H9BrN2O2/c11-9-7(4-6-14)12-8-3-1-2-5-13(8)10(9)15/h1-3,5,14H,4,6H2
InChIKeySVLDTIJNLZDIBV-UHFFFAOYSA-N
XLogP0.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 67510341
3-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one;(3-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl acetate
CID 161408506
3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 68855687
N'-[2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetyl]-2-methylpropanehydrazide
CID 154789281
2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one
CID 135870029
3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24996911
2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
CID 59589453
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
1-(2-ethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 76849304
[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid
CID 68854322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one (CID 67509636) is 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(Br)c(CCO)nc2ccccn12.
What is the InChIKey of 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SVLDTIJNLZDIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-9-7(4-6-14)12-8-3-1-2-5-13(8)10(9)15/h1-3,5,14H,4,6H2.
What are the key properties of 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.10 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67509636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).