[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol

C14H11BrN2O — CID 155930864

IUPAC[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol
SMILESOCc1ccccc1-n1ccc2cc(Br)cnc21
InChIInChI=1S/C14H11BrN2O/c15-12-7-10-5-6-17(14(10)16-8-12)13-4-2-1-3-11(13)9-18/h1-8,18H,9H2
InChIKeyQCMTVQWZPMAKBO-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds2

About [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol

[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol (PubChem CID 155930864) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol
PubChem CID155930864
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol
SMILESOCc1ccccc1-n1ccc2cc(Br)cnc21
InChIInChI=1S/C14H11BrN2O/c15-12-7-10-5-6-17(14(10)16-8-12)13-4-2-1-3-11(13)9-18/h1-8,18H,9H2
InChIKeyQCMTVQWZPMAKBO-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-pyridin-2-ylpyrrolo[2,3-b]pyridine
CID 66575319
5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
CID 118508217
[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine
CID 174276964
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223836
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
CID 117223786
5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine
CID 115052473
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
CID 117223845
(2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol
CID 50961614
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
1-(azetidin-3-ylmethyl)-5-bromopyrrolo[2,3-b]pyridine
CID 117223802
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
5-bromo-1-[2-(bromomethyl)-1,3-dioxan-5-yl]pyrrolo[2,3-b]pyridine
CID 176562159

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol?
The IUPAC name of [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol (CID 155930864) is [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol?
The canonical SMILES for [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol is OCc1ccccc1-n1ccc2cc(Br)cnc21.
What is the InChIKey of [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol?
The InChIKey is QCMTVQWZPMAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-7-10-5-6-17(14(10)16-8-12)13-4-2-1-3-11(13)9-18/h1-8,18H,9H2.
What are the key properties of [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol?
[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol has a molecular weight of 303.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol is sourced from PubChem (CID 155930864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).