(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol

C9H8BrNOS — CID 63750186

IUPAC(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNOS/c10-8-2-1-7(13-8)9(12)6-3-4-11-5-6/h1-5,9,11-12H
InChIKeyAGZWTUJCCQAGHH-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.92
Rot. Bonds2

About (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol

(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol (PubChem CID 63750186) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
PubChem CID63750186
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNOS/c10-8-2-1-7(13-8)9(12)6-3-4-11-5-6/h1-5,9,11-12H
InChIKeyAGZWTUJCCQAGHH-UHFFFAOYSA-N
XLogP2.92
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol (CID 63750186) is (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol is OC(c1cc[nH]c1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is AGZWTUJCCQAGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-8-2-1-7(13-8)9(12)6-3-4-11-5-6/h1-5,9,11-12H.
What are the key properties of (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol has a molecular weight of 258.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).