2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone

C14H11BrFNO — CID 79701083

IUPAC2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H11BrFNO/c1-9-3-2-4-13(17-9)14(18)7-10-5-11(15)8-12(16)6-10/h2-6,8H,7H2,1H3
InChIKeyJIPDGMMKGMETDI-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 79701083) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID79701083
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H11BrFNO/c1-9-3-2-4-13(17-9)14(18)7-10-5-11(15)8-12(16)6-10/h2-6,8H,7H2,1H3
InChIKeyJIPDGMMKGMETDI-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone (CID 79701083) is 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(C(=O)Cc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is JIPDGMMKGMETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-3-2-4-13(17-9)14(18)7-10-5-11(15)8-12(16)6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 308.15 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 79701083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).