2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone

C12H10BrNOS — CID 114877646

IUPAC2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)Cc1cc(Br)cs1
InChIInChI=1S/C12H10BrNOS/c1-8-2-3-14-6-11(8)12(15)5-10-4-9(13)7-16-10/h2-4,6-7H,5H2,1H3
InChIKeyFRCXSLVIINVODR-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone

2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 114877646) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID114877646
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)Cc1cc(Br)cs1
InChIInChI=1S/C12H10BrNOS/c1-8-2-3-14-6-11(8)12(15)5-10-4-9(13)7-16-10/h2-4,6-7H,5H2,1H3
InChIKeyFRCXSLVIINVODR-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
N-[(4-bromothiophen-2-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698668
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105092482
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
4-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244388
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
4-[(4-bromothiophen-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114244409

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone (CID 114877646) is 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccncc1C(=O)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is FRCXSLVIINVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-2-3-14-6-11(8)12(15)5-10-4-9(13)7-16-10/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 296.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 114877646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).