2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone

C14H12BrNO2 — CID 105078628

IUPAC2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C14H12BrNO2/c1-18-14-11(6-4-8-16-14)13(17)9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3
InChIKeyYRFGEVIDQFAUBV-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone

2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone (PubChem CID 105078628) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
PubChem CID105078628
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C14H12BrNO2/c1-18-14-11(6-4-8-16-14)13(17)9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3
InChIKeyYRFGEVIDQFAUBV-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
CID 86238841
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105126756
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 115580215
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone (CID 105078628) is 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone is COc1ncccc1C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The InChIKey is YRFGEVIDQFAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-14-11(6-4-8-16-14)13(17)9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone has a molecular weight of 306.16 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 105078628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).