(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol

C9H11Br2NOS — CID 80535555

IUPAC(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol
SMILESOC(c1cc(Br)c(Br)s1)C1CCCN1
InChIInChI=1S/C9H11Br2NOS/c10-5-4-7(14-9(5)11)8(13)6-2-1-3-12-6/h4,6,8,12-13H,1-3H2
InChIKeyBWAKPMZPUKZIPT-UHFFFAOYSA-N
MW341.07 g/mol
LogP3.06
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol

(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol (PubChem CID 80535555) has the molecular formula C9H11Br2NOS and a molecular weight of 341.07 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol
PubChem CID80535555
Molecular FormulaC9H11Br2NOS
Molecular Weight341.07 g/mol
Exact Mass338.89
IUPAC Name(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol
SMILESOC(c1cc(Br)c(Br)s1)C1CCCN1
InChIInChI=1S/C9H11Br2NOS/c10-5-4-7(14-9(5)11)8(13)6-2-1-3-12-6/h4,6,8,12-13H,1-3H2
InChIKeyBWAKPMZPUKZIPT-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102830007
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
(4,5-dibromothiophen-2-yl)-(oxan-3-yl)methanol
CID 80535369
(3-methoxy-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130673824
(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
CID 131001434
(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
CID 64866828
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(R)-cyclopenten-1-yl-[(2S)-pyrrolidin-2-yl]methanol
CID 130935112
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 155010567
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol (CID 80535555) is (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol is OC(c1cc(Br)c(Br)s1)C1CCCN1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is BWAKPMZPUKZIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NOS/c10-5-4-7(14-9(5)11)8(13)6-2-1-3-12-6/h4,6,8,12-13H,1-3H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol?
(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 341.07 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 80535555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).