9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

C10H10Br2N2O3 — CID 150907289

IUPAC9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCC(Br)(Br)c2nc(C(=O)O)cc(=O)n21
InChIInChI=1S/C10H10Br2N2O3/c1-5-2-3-10(11,12)9-13-6(8(16)17)4-7(15)14(5)9/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyLBGAWFWSIGIGOC-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.24
Rot. Bonds1

About 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 150907289) has the molecular formula C10H10Br2N2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID150907289
Molecular FormulaC10H10Br2N2O3
Molecular Weight366.01 g/mol
Exact Mass363.91
IUPAC Name9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1CCC(Br)(Br)c2nc(C(=O)O)cc(=O)n21
InChIInChI=1S/C10H10Br2N2O3/c1-5-2-3-10(11,12)9-13-6(8(16)17)4-7(15)14(5)9/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyLBGAWFWSIGIGOC-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83878709
9-Bromo-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 150656508
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid hydrochloride
CID 155167587
6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883659

Frequently Asked Questions

What is the IUPAC name of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 150907289) is 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid is CC1CCC(Br)(Br)c2nc(C(=O)O)cc(=O)n21.
What is the InChIKey of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is LBGAWFWSIGIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3/c1-5-2-3-10(11,12)9-13-6(8(16)17)4-7(15)14(5)9/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 366.01 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 150907289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).