9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C8H8Br2N2O — CID 163549058

IUPAC9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1CCCC2(Br)Br
InChIInChI=1S/C8H8Br2N2O/c9-8(10)3-1-5-12-6(13)2-4-11-7(8)12/h2,4H,1,3,5H2
InChIKeyFHMHXQNOWKCQAZ-UHFFFAOYSA-N
MW307.97 g/mol
LogP1.98
Rot. Bonds

About 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 163549058) has the molecular formula C8H8Br2N2O and a molecular weight of 307.97 g/mol. Its IUPAC name is 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID163549058
Molecular FormulaC8H8Br2N2O
Molecular Weight307.97 g/mol
Exact Mass305.90
IUPAC Name9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1CCCC2(Br)Br
InChIInChI=1S/C8H8Br2N2O/c9-8(10)3-1-5-12-6(13)2-4-11-7(8)12/h2,4H,1,3,5H2
InChIKeyFHMHXQNOWKCQAZ-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 526446
3,9,9-tribromo-6-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4-one
CID 13312960
9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312965
9-Bromo-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154324804
6,7,8,9-Tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 172791637
(6R)-9,9-dibromo-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 13312966
6,7,8,9-Tetrahydro-2H-pyrido[1,2-a]pyrimidin-2-one
CID 45088267
2-Bromo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83823746

Frequently Asked Questions

What is the IUPAC name of 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 163549058) is 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2n1CCCC2(Br)Br.
What is the InChIKey of 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FHMHXQNOWKCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O/c9-8(10)3-1-5-12-6(13)2-4-11-7(8)12/h2,4H,1,3,5H2.
What are the key properties of 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 307.97 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibromo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163549058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).