2-bromo-1-(6-methyl-2-pyridinyl)ethanone

C8H8BrNO — CID 19846123

IUPAC2-bromo-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)CBr)n1
InChIInChI=1S/C8H8BrNO/c1-6-3-2-4-7(10-6)8(11)5-9/h2-4H,5H2,1H3
InChIKeyUTOCGDHGZVWDAJ-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.97
Rot. Bonds2

About 2-bromo-1-(6-methyl-2-pyridinyl)ethanone

2-bromo-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 19846123) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-bromo-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID19846123
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name2-bromo-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)CBr)n1
InChIInChI=1S/C8H8BrNO/c1-6-3-2-4-7(10-6)8(11)5-9/h2-4H,5H2,1H3
InChIKeyUTOCGDHGZVWDAJ-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone (CID 19846123) is 2-bromo-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-bromo-1-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(C(=O)CBr)n1.
What is the InChIKey of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is UTOCGDHGZVWDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6-3-2-4-7(10-6)8(11)5-9/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-1-(6-methyl-2-pyridinyl)ethanone?
2-bromo-1-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 214.06 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 19846123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).