2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

C11H9BrFNOS — CID 79721942

IUPAC2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(F)cn1
InChIInChI=1S/C11H9BrFNOS/c12-8-3-4-16-11(8)5-10(15)9-2-1-7(13)6-14-9/h1-4,6,10,15H,5H2
InChIKeyXMDQNGAQGNSAPT-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 79721942) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID79721942
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(F)cn1
InChIInChI=1S/C11H9BrFNOS/c12-8-3-4-16-11(8)5-10(15)9-2-1-7(13)6-14-9/h1-4,6,10,15H,5H2
InChIKeyXMDQNGAQGNSAPT-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-(Pyridin-2-yl)thiophen-2-yl)methanol
CID 2776202
3-Pyridin-2-yl-1-thien-2-ylprop-2-yn-1-ol
CID 3236706
2-Pyridyl[1-(3-thienylmethyl)-4-piperidyl]methanol
CID 53193318
2-Pyridyl[1-(2-thienylmethyl)-4-piperidyl]methanol
CID 53193339
(2-Fluoropyridin-3-yl)(2-thienyl)methanol
CID 12711113
(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
CID 22630898
(E)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
CID 22630948
2-[[5-Amino-2-[4-(trifluoromethyl)thiophen-2-yl]piperidin-4-yl]amino]-1-(5-bromo-2-pyridinyl)ethanol
CID 69560593
(Z)-2-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
CID 69916033
2-Fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
CID 69916037
(E)-3-fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
CID 69925397
3-Fluoro-3-(5-pyridin-2-ylthiophen-2-yl)prop-2-en-1-ol
CID 69925398

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 79721942) is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cc1sccc1Br)c1ccc(F)cn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is XMDQNGAQGNSAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c12-8-3-4-16-11(8)5-10(15)9-2-1-7(13)6-14-9/h1-4,6,10,15H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 302.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 79721942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).