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

C9H8BrNOS — CID 63796291

IUPAC(3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1sccc1Br
InChIInChI=1S/C9H8BrNOS/c10-7-2-4-13-9(7)8(12)6-1-3-11-5-6/h1-5,8,11-12H
InChIKeyONWZBZXSZIIXIK-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.92
Rot. Bonds2

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

(3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol (PubChem CID 63796291) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
PubChem CID63796291
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name(3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1sccc1Br
InChIInChI=1S/C9H8BrNOS/c10-7-2-4-13-9(7)8(12)6-1-3-11-5-6/h1-5,8,11-12H
InChIKeyONWZBZXSZIIXIK-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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Related Compounds

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(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
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(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
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(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
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(3-bromothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
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1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
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(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
6-[(3-bromothiophen-2-yl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
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(2-bromo-4-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 80535969
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
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(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol (CID 63796291) is (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol is OC(c1cc[nH]c1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is ONWZBZXSZIIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-7-2-4-13-9(7)8(12)6-1-3-11-5-6/h1-5,8,11-12H.
What are the key properties of (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol?
(3-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 (3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63796291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).