9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

C10H9Br2N3O — CID 13312952

IUPAC9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CCC(Br)(Br)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C10H9Br2N3O/c1-6-2-3-10(11,12)9-14-5-7(4-13)8(16)15(6)9/h5-6H,2-3H2,1H3
InChIKeyWJAMXEPOSKIQNN-UHFFFAOYSA-N
MW347.01 g/mol
LogP2.41
Rot. Bonds

About 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile

9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 13312952) has the molecular formula C10H9Br2N3O and a molecular weight of 347.01 g/mol. Its IUPAC name is 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID13312952
Molecular FormulaC10H9Br2N3O
Molecular Weight347.01 g/mol
Exact Mass344.91
IUPAC Name9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CCC(Br)(Br)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C10H9Br2N3O/c1-6-2-3-10(11,12)9-14-5-7(4-13)8(16)15(6)9/h5-6H,2-3H2,1H3
InChIKeyWJAMXEPOSKIQNN-UHFFFAOYSA-N
XLogP2.41
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
CID 12762253
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13312951
3,9,9-tribromo-6-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4-one
CID 13312960
9,9-dibromo-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312961
9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312965
9-Bromo-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
CID 13309225
(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312966

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-3-carbonitrile?
The IUPAC name of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile (CID 13312952) is 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile is CC1CCC(Br)(Br)c2ncc(C#N)c(=O)n21.
What is the InChIKey of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is WJAMXEPOSKIQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O/c1-6-2-3-10(11,12)9-14-5-7(4-13)8(16)15(6)9/h5-6H,2-3H2,1H3.
What are the key properties of 9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 347.01 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 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-3-carbonitrile is sourced from PubChem (CID 13312952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).