2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone

C14H12BrNO — CID 63840221

IUPAC2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2ccccc2Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-6-7-16-13(8-10)14(17)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyVTIFCCRGYHGJHD-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.58
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone

2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 63840221) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
PubChem CID63840221
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2ccccc2Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-6-7-16-13(8-10)14(17)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyVTIFCCRGYHGJHD-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63840069
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373951
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanol
CID 63839071
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
1-(4-methyl-2-pyridinyl)but-3-en-1-one
CID 63839400
1-(4-methyl-2-pyridinyl)-2-pyridin-1-ium-1-ylethanone
CID 71350036
1-(4-methyl-2-pyridinyl)hexan-1-one
CID 63841215
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone (CID 63840221) is 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone is Cc1ccnc(C(=O)Cc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is VTIFCCRGYHGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-6-7-16-13(8-10)14(17)9-11-4-2-3-5-12(11)15/h2-8H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone has a molecular weight of 290.16 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 63840221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).