7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one

C8H5BrN2O2 — CID 135517940

IUPAC7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2ccc(Br)cn12
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H
InChIKeySVGJFNCVLKQSPN-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.16
Rot. Bonds

About 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one

7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 135517940) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID135517940
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2ccc(Br)cn12
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H
InChIKeySVGJFNCVLKQSPN-UHFFFAOYSA-N
XLogP1.16
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
2-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898760
7-bromo-2-[(2-hydroxyphenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 62000512
7-bromo-2-hydroxy-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 162341321
(2R)-2-amino-3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid
CID 61141513
7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 166370966
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclopropanecarboxylate
CID 7863227
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-fluorobenzoate
CID 2715433
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 21345663

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 135517940) is 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1cc(O)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SVGJFNCVLKQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H.
What are the key properties of 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 241.04 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135517940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).