1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol

C10H11BrN2O — CID 147133696

IUPAC1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol
SMILESCC(O)c1cnc2c(c1)c(Br)cn2C
InChIInChI=1S/C10H11BrN2O/c1-6(14)7-3-8-9(11)5-13(2)10(8)12-4-7/h3-6,14H,1-2H3
InChIKeyBQSROPRJBQHEAZ-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.39
Rot. Bonds1

About 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol

1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol (PubChem CID 147133696) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol
PubChem CID147133696
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol
SMILESCC(O)c1cnc2c(c1)c(Br)cn2C
InChIInChI=1S/C10H11BrN2O/c1-6(14)7-3-8-9(11)5-13(2)10(8)12-4-7/h3-6,14H,1-2H3
InChIKeyBQSROPRJBQHEAZ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,5R)-5-(5-bromo-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 71457609
[5-Bromo-2-(dimethylamino)pyridin-3-yl]methanol
CID 61993270
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol
CID 58086965
[3-Fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol
CID 90133557
(5-Fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol
CID 90720865
[5-Bromo-3-(1-cyclopropyl-2-hydroxyethyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 153403477
[5-Bromo-2-(hydroxymethyl)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 156181050
1-(6-Bromo-2-methylimidazo[1,2-a]pyridin-8-yl)-2,2,2-trifluoroethanol
CID 156533059
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanol
CID 167090743
[5-Bromo-6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 169573227
(1-Methyl-2-trimethylsilylpyrrolo[2,3-b]pyridin-3-yl)methanol
CID 86188870
[1-(4-Methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 135084451

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol?
The IUPAC name of 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol (CID 147133696) is 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol?
The canonical SMILES for 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol is CC(O)c1cnc2c(c1)c(Br)cn2C.
What is the InChIKey of 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol?
The InChIKey is BQSROPRJBQHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6(14)7-3-8-9(11)5-13(2)10(8)12-4-7/h3-6,14H,1-2H3.
What are the key properties of 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol?
1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol has a molecular weight of 255.12 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol is sourced from PubChem (CID 147133696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).