1-(5-bromo-4-methyl-2-pyridinyl)ethanone

C8H8BrNO — CID 71014720

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(C)c(Br)cn1
InChIInChI=1S/C8H8BrNO/c1-5-3-8(6(2)11)10-4-7(5)9/h3-4H,1-2H3
InChIKeyIZQZLUANDRPXSO-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.36
Rot. Bonds1

About 1-(5-bromo-4-methyl-2-pyridinyl)ethanone

1-(5-bromo-4-methyl-2-pyridinyl)ethanone (PubChem CID 71014720) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)ethanone
PubChem CID71014720
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(C)c(Br)cn1
InChIInChI=1S/C8H8BrNO/c1-5-3-8(6(2)11)10-4-7(5)9/h3-4H,1-2H3
InChIKeyIZQZLUANDRPXSO-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)ethanone (CID 71014720) is 1-(5-bromo-4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)ethanone is CC(=O)c1cc(C)c(Br)cn1.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)ethanone?
The InChIKey is IZQZLUANDRPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-5-3-8(6(2)11)10-4-7(5)9/h3-4H,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)ethanone?
1-(5-bromo-4-methyl-2-pyridinyl)ethanone has a molecular weight of 214.06 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 71014720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).