8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C10H7BrN2O2 — CID 156822440

IUPAC8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cc(Br)cc2ncc(C=O)c(=O)n12
InChIInChI=1S/C10H7BrN2O2/c1-6-2-8(11)3-9-12-4-7(5-14)10(15)13(6)9/h2-5H,1H3
InChIKeyWXAYCBNUGNCGSB-UHFFFAOYSA-N
MW267.08 g/mol
LogP1.58
Rot. Bonds1

About 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 156822440) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID156822440
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cc(Br)cc2ncc(C=O)c(=O)n12
InChIInChI=1S/C10H7BrN2O2/c1-6-2-8(11)3-9-12-4-7(5-14)10(15)13(6)9/h2-5H,1H3
InChIKeyWXAYCBNUGNCGSB-UHFFFAOYSA-N
XLogP1.58
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 156822440) is 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cc(Br)cc2ncc(C=O)c(=O)n12.
What is the InChIKey of 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is WXAYCBNUGNCGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c1-6-2-8(11)3-9-12-4-7(5-14)10(15)13(6)9/h2-5H,1H3.
What are the key properties of 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 267.08 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 156822440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).