[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol

C10H10BrNOS — CID 66398701

IUPAC[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2ccc(Br)s2)c1
InChIInChI=1S/C10H10BrNOS/c11-10-2-1-9(14-10)6-12-4-3-8(5-12)7-13/h1-5,13H,6-7H2
InChIKeyRXGGEJWXKGUCFJ-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.85
Rot. Bonds3

About [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol

[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66398701) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66398701
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2ccc(Br)s2)c1
InChIInChI=1S/C10H10BrNOS/c11-10-2-1-9(14-10)6-12-4-3-8(5-12)7-13/h1-5,13H,6-7H2
InChIKeyRXGGEJWXKGUCFJ-UHFFFAOYSA-N
XLogP2.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol (CID 66398701) is [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol is OCc1ccn(Cc2ccc(Br)s2)c1.
What is the InChIKey of [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is RXGGEJWXKGUCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-10-2-1-9(14-10)6-12-4-3-8(5-12)7-13/h1-5,13H,6-7H2.
What are the key properties of [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 272.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).