3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one

C8H8BrNO2 — CID 176888643

IUPAC3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
SMILESCC1CNC(=O)c2c(Br)coc21
InChIInChI=1S/C8H8BrNO2/c1-4-2-10-8(11)6-5(9)3-12-7(4)6/h3-4H,2H2,1H3,(H,10,11)
InChIKeySXUBHIKMUBJMPT-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.89
Rot. Bonds

About 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one

3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one (PubChem CID 176888643) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
PubChem CID176888643
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
SMILESCC1CNC(=O)c2c(Br)coc21
InChIInChI=1S/C8H8BrNO2/c1-4-2-10-8(11)6-5(9)3-12-7(4)6/h3-4H,2H2,1H3,(H,10,11)
InChIKeySXUBHIKMUBJMPT-UHFFFAOYSA-N
XLogP1.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one (CID 176888643) is 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one is CC1CNC(=O)c2c(Br)coc21.
What is the InChIKey of 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
The InChIKey is SXUBHIKMUBJMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-4-2-10-8(11)6-5(9)3-12-7(4)6/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one?
3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one has a molecular weight of 230.06 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 176888643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).