2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol

C8H12BrNO — CID 84683373

IUPAC2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol
SMILESCn1cc(C(C)(C)O)cc1Br
InChIInChI=1S/C8H12BrNO/c1-8(2,11)6-4-7(9)10(3)5-6/h4-5,11H,1-3H3
InChIKeyWNXCJFBPHDDEDM-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.02
Rot. Bonds1

About 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol

2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol (PubChem CID 84683373) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol
PubChem CID84683373
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol
SMILESCn1cc(C(C)(C)O)cc1Br
InChIInChI=1S/C8H12BrNO/c1-8(2,11)6-4-7(9)10(3)5-6/h4-5,11H,1-3H3
InChIKeyWNXCJFBPHDDEDM-UHFFFAOYSA-N
XLogP2.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromopyridin-4-yl)propan-2-ol
CID 22391965
2-(6-Bromo-3-pyridyl)-2-propanol
CID 22391973
2-(2-Bromopyridin-3-yl)propan-2-ol
CID 58268542
2-Bromo-5-fluoro-alpha,alpha-dimethyl-4-pyridinemethanol
CID 86668048
1,1,1,3,3,3-Hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 12910759
3-amino-1,1,1-trifluoro-2-(1-methyl-1H-pyrrol-3-yl)propan-2-ol
CID 47003442
(2R)-3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 51922090
(2S)-3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 51922092
1-[1-(2-Bromoprop-2-enyl)pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81603724
1-(1-Methyl-1H-pyrrol-3-yl)ethanol
CID 12519680
2-(3-Bromopyridin-4-yl)propan-2-ol
CID 59636235
3-(6-Bromo-3-pyridyl)-3-pentanol
CID 87795436

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol (CID 84683373) is 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol is Cn1cc(C(C)(C)O)cc1Br.
What is the InChIKey of 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol?
The InChIKey is WNXCJFBPHDDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-8(2,11)6-4-7(9)10(3)5-6/h4-5,11H,1-3H3.
What are the key properties of 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol?
2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol has a molecular weight of 218.09 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol is sourced from PubChem (CID 84683373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).