1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol

C12H11Br2NOS — CID 114021943

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Br)sc2Br)nc1
InChIInChI=1S/C12H11Br2NOS/c1-7-2-3-8(15-6-7)4-10(16)9-5-11(13)17-12(9)14/h2-3,5-6,10,16H,4H2,1H3
InChIKeyVVDRRHQGWOLBFJ-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol

1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 114021943) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID114021943
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Br)sc2Br)nc1
InChIInChI=1S/C12H11Br2NOS/c1-7-2-3-8(15-6-7)4-10(16)9-5-11(13)17-12(9)14/h2-3,5-6,10,16H,4H2,1H3
InChIKeyVVDRRHQGWOLBFJ-UHFFFAOYSA-N
XLogP4.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114024113
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460933
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876
1-(furan-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461533

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol (CID 114021943) is 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(CC(O)c2cc(Br)sc2Br)nc1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is VVDRRHQGWOLBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c1-7-2-3-8(15-6-7)4-10(16)9-5-11(13)17-12(9)14/h2-3,5-6,10,16H,4H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol?
1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 377.10 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114021943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).