1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone

C14H14BrNO — CID 158243985

IUPAC1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone
SMILESCN1C=CC=CC1CC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c1-16-8-3-2-7-13(16)10-14(17)11-5-4-6-12(15)9-11/h2-9,13H,10H2,1H3
InChIKeyBSLRZLHZHFAGMU-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.41
Rot. Bonds3

About 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone

1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone (PubChem CID 158243985) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone
PubChem CID158243985
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone
SMILESCN1C=CC=CC1CC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c1-16-8-3-2-7-13(16)10-14(17)11-5-4-6-12(15)9-11/h2-9,13H,10H2,1H3
InChIKeyBSLRZLHZHFAGMU-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone (CID 158243985) is 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone is CN1C=CC=CC1CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone?
The InChIKey is BSLRZLHZHFAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-16-8-3-2-7-13(16)10-14(17)11-5-4-6-12(15)9-11/h2-9,13H,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone?
1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone has a molecular weight of 292.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone is sourced from PubChem (CID 158243985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).