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

C14H11BrFNO — CID 63840218

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11BrFNO/c1-9-4-5-17-13(6-9)14(18)8-10-7-11(16)2-3-12(10)15/h2-7H,8H2,1H3
InChIKeyZYEDBBBAKNODRJ-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.72
Rot. Bonds3

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

2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 63840218) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
PubChem CID63840218
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11BrFNO/c1-9-4-5-17-13(6-9)14(18)8-10-7-11(16)2-3-12(10)15/h2-7H,8H2,1H3
InChIKeyZYEDBBBAKNODRJ-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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Related Compounds

2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
1-[2-(aminomethyl)-4-pyridinyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116601812
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone (CID 63840218) is 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone is Cc1ccnc(C(=O)Cc2cc(F)ccc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is ZYEDBBBAKNODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-4-5-17-13(6-9)14(18)8-10-7-11(16)2-3-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(4-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-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 63840218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).