[1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol

C10H10BrNOS — CID 66399334

IUPAC[1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cc(Br)cs2)c1
InChIInChI=1S/C10H10BrNOS/c11-9-3-10(14-7-9)5-12-2-1-8(4-12)6-13/h1-4,7,13H,5-6H2
InChIKeyQQYHRYYYNKIRQD-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.85
Rot. Bonds3

About [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol

[1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66399334) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66399334
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name[1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cc(Br)cs2)c1
InChIInChI=1S/C10H10BrNOS/c11-9-3-10(14-7-9)5-12-2-1-8(4-12)6-13/h1-4,7,13H,5-6H2
InChIKeyQQYHRYYYNKIRQD-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

Analyze [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol with MolForge

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Related Compounds

[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
CID 66398701
1-[(4-bromothiophen-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79103697
[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol
CID 106717530
[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol
CID 66399961
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
CID 113387842
N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66397930
[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanol
CID 66398061
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
1-[3-(hydroxymethyl)pyrrol-1-yl]propan-2-ol
CID 66399124
N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402996
2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79985411

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol (CID 66399334) is [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol is OCc1ccn(Cc2cc(Br)cs2)c1.
What is the InChIKey of [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is QQYHRYYYNKIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-9-3-10(14-7-9)5-12-2-1-8(4-12)6-13/h1-4,7,13H,5-6H2.
What are the key properties of [1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol?
[1-[(4-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-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66399334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).