(5-bromo-3-chlorothiophen-2-yl)methanol

C5H4BrClOS — CID 141388056

IUPAC(5-bromo-3-chlorothiophen-2-yl)methanol
SMILESOCc1sc(Br)cc1Cl
InChIInChI=1S/C5H4BrClOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2
InChIKeyVUZGLAGNNBUPCC-UHFFFAOYSA-N
MW227.51 g/mol
LogP2.66
Rot. Bonds1

About (5-bromo-3-chlorothiophen-2-yl)methanol

(5-bromo-3-chlorothiophen-2-yl)methanol (PubChem CID 141388056) has the molecular formula C5H4BrClOS and a molecular weight of 227.51 g/mol. Its IUPAC name is (5-bromo-3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-chlorothiophen-2-yl)methanol
PubChem CID141388056
Molecular FormulaC5H4BrClOS
Molecular Weight227.51 g/mol
Exact Mass225.89
IUPAC Name(5-bromo-3-chlorothiophen-2-yl)methanol
SMILESOCc1sc(Br)cc1Cl
InChIInChI=1S/C5H4BrClOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2
InChIKeyVUZGLAGNNBUPCC-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromo-2-thienyl)methanol
CID 2795484
(5-Chlorothiophen-2-yl)methanol
CID 12554178
(4,5-Dibromothiophen-2-yl)methanol
CID 59355817
(5-Bromothiophen-2-yl)methanol
CID 11435467
1-(5-Bromothiophen-2-yl)ethan-1-ol
CID 13052050
(4-Chlorothiophen-2-yl)methanol
CID 67154484
(5-Bromo-4-methylthiophen-2-yl)methanol
CID 79997697
(3,5-Dichlorothiophen-2-yl)methanol
CID 123290972
(1S)-1-(5-bromothiophen-2-yl)ethan-1-ol
CID 13052051
(3-Bromothiophen-2-YL)methanol
CID 12479011
(3-Chlorothiophen-2-yl)methanol
CID 22134638
(4-Bromo-5-fluorothiophen-2-yl)methanol
CID 89690310

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-chlorothiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-chlorothiophen-2-yl)methanol (CID 141388056) is (5-bromo-3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-chlorothiophen-2-yl)methanol is OCc1sc(Br)cc1Cl.
What is the InChIKey of (5-bromo-3-chlorothiophen-2-yl)methanol?
The InChIKey is VUZGLAGNNBUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2.
What are the key properties of (5-bromo-3-chlorothiophen-2-yl)methanol?
(5-bromo-3-chlorothiophen-2-yl)methanol has a molecular weight of 227.51 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 141388056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).