5-bromo-1-(furan-2-ylmethyl)pyridin-2-one

C10H8BrNO2 — CID 60773320

IUPAC5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccco1
InChIInChI=1S/C10H8BrNO2/c11-8-3-4-10(13)12(6-8)7-9-2-1-5-14-9/h1-6H,7H2
InChIKeyALEFCBSNINBNGH-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.25
Rot. Bonds2

About 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one

5-bromo-1-(furan-2-ylmethyl)pyridin-2-one (PubChem CID 60773320) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
PubChem CID60773320
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccco1
InChIInChI=1S/C10H8BrNO2/c11-8-3-4-10(13)12(6-8)7-9-2-1-5-14-9/h1-6H,7H2
InChIKeyALEFCBSNINBNGH-UHFFFAOYSA-N
XLogP2.25
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one (CID 60773320) is 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one is O=c1ccc(Br)cn1Cc1ccco1.
What is the InChIKey of 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one?
The InChIKey is ALEFCBSNINBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-8-3-4-10(13)12(6-8)7-9-2-1-5-14-9/h1-6H,7H2.
What are the key properties of 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one?
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one has a molecular weight of 254.08 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(furan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 60773320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).