2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone

C11H12BrNO2 — CID 169004107

IUPAC2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone
SMILESCC1(C)Cc2cc(C(=O)CBr)ncc2O1
InChIInChI=1S/C11H12BrNO2/c1-11(2)4-7-3-8(9(14)5-12)13-6-10(7)15-11/h3,6H,4-5H2,1-2H3
InChIKeyNCBYXEQVPWEKJJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.37
Rot. Bonds2

About 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone

2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone (PubChem CID 169004107) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone
PubChem CID169004107
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone
SMILESCC1(C)Cc2cc(C(=O)CBr)ncc2O1
InChIInChI=1S/C11H12BrNO2/c1-11(2)4-7-3-8(9(14)5-12)13-6-10(7)15-11/h3,6H,4-5H2,1-2H3
InChIKeyNCBYXEQVPWEKJJ-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone (CID 169004107) is 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone is CC1(C)Cc2cc(C(=O)CBr)ncc2O1.
What is the InChIKey of 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone?
The InChIKey is NCBYXEQVPWEKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-11(2)4-7-3-8(9(14)5-12)13-6-10(7)15-11/h3,6H,4-5H2,1-2H3.
What are the key properties of 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone?
2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone has a molecular weight of 270.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 169004107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).