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

C14H12BrNO2 — CID 105079137

IUPAC2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-18-14-12(6-3-7-16-14)13(17)9-10-4-2-5-11(15)8-10/h2-8H,9H2,1H3
InChIKeyJUJWNVCUDPSKBO-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.28
Rot. Bonds4

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

2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone (PubChem CID 105079137) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
PubChem CID105079137
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-18-14-12(6-3-7-16-14)13(17)9-10-4-2-5-11(15)8-10/h2-8H,9H2,1H3
InChIKeyJUJWNVCUDPSKBO-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-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105126756
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone
CID 114270306
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone (CID 105079137) is 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone is COc1ncccc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
The InChIKey is JUJWNVCUDPSKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-14-12(6-3-7-16-14)13(17)9-10-4-2-5-11(15)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone?
2-(3-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-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 105079137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).