6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C9H5BrN2O3 — CID 115050074

IUPAC6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(Br)cccc2n1
InChIInChI=1S/C9H5BrN2O3/c10-6-2-1-3-7-11-5(9(14)15)4-8(13)12(6)7/h1-4H,(H,14,15)
InChIKeyBAQJWIXNQLVAEN-UHFFFAOYSA-N
MW269.05 g/mol
LogP1.16
Rot. Bonds1

About 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 115050074) has the molecular formula C9H5BrN2O3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID115050074
Molecular FormulaC9H5BrN2O3
Molecular Weight269.05 g/mol
Exact Mass267.95
IUPAC Name6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(Br)cccc2n1
InChIInChI=1S/C9H5BrN2O3/c10-6-2-1-3-7-11-5(9(14)15)4-8(13)12(6)7/h1-4H,(H,14,15)
InChIKeyBAQJWIXNQLVAEN-UHFFFAOYSA-N
XLogP1.16
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262
6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053152
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693349
1-bromo-8-chloroisoquinoline-3-carboxylic acid
CID 165441673
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
13-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
CID 84818466
2-amino-6-methoxypyrido[1,2-a]pyrimidin-4-one
CID 115018402
6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 87553679
1-(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanone
CID 83898758
7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609302
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027218
9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023809

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 115050074) is 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc(=O)n2c(Br)cccc2n1.
What is the InChIKey of 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is BAQJWIXNQLVAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3/c10-6-2-1-3-7-11-5(9(14)15)4-8(13)12(6)7/h1-4H,(H,14,15).
What are the key properties of 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 269.05 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115050074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).