6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one

C8H6BrN3O — CID 175780859

IUPAC6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Br)cc2cncnc21
InChIInChI=1S/C8H6BrN3O/c1-12-7-5(3-10-4-11-7)2-6(9)8(12)13/h2-4H,1H3
InChIKeyNADSVMZPOUDQGC-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.09
Rot. Bonds

About 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one

6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 175780859) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID175780859
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Br)cc2cncnc21
InChIInChI=1S/C8H6BrN3O/c1-12-7-5(3-10-4-11-7)2-6(9)8(12)13/h2-4H,1H3
InChIKeyNADSVMZPOUDQGC-UHFFFAOYSA-N
XLogP1.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 175780859) is 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Br)cc2cncnc21.
What is the InChIKey of 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NADSVMZPOUDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c1-12-7-5(3-10-4-11-7)2-6(9)8(12)13/h2-4H,1H3.
What are the key properties of 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 240.06 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175780859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).