2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol

C14H10BrFN2O — CID 144646912

IUPAC2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol
SMILESCn1cc(-c2cccc(F)c2O)c2cc(Br)cnc21
InChIInChI=1S/C14H10BrFN2O/c1-18-7-11(9-3-2-4-12(16)13(9)19)10-5-8(15)6-17-14(10)18/h2-7,19H,1H3
InChIKeyVUKIBVBKSYIEAI-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.85
Rot. Bonds1

About 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol

2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol (PubChem CID 144646912) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol
PubChem CID144646912
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol
SMILESCn1cc(-c2cccc(F)c2O)c2cc(Br)cnc21
InChIInChI=1S/C14H10BrFN2O/c1-18-7-11(9-3-2-4-12(16)13(9)19)10-5-8(15)6-17-14(10)18/h2-7,19H,1H3
InChIKeyVUKIBVBKSYIEAI-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenol, 3-[4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-
CID 11230964
4-[(6-Bromo-1H-imidazo[4,5-b]pyridin-1-yl)methyl]phenol
CID 56661685
5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridine
CID 59699787
2-[6-Bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 24821712
5-Bromo-3-(2-methoxy-phenyl)-4-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridine
CID 57537548
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-2,4-difluorophenol
CID 58086938
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol
CID 58086965
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol
CID 58087211
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenol
CID 58087513
tert-butyl 5-bromo-3-[(1S)-1-(2-chloro-3-fluoro-6-hydroxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CID 67003938
5-Bromo-3-[1-(6-chloro-3-fluoro-2-hydroxyphenyl)ethyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
CID 67004033
2-[(1S)-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-chloro-4-fluorophenol
CID 67004109

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol?
The IUPAC name of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol (CID 144646912) is 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol.
What is the SMILES notation for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol?
The canonical SMILES for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol is Cn1cc(-c2cccc(F)c2O)c2cc(Br)cnc21.
What is the InChIKey of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol?
The InChIKey is VUKIBVBKSYIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-18-7-11(9-3-2-4-12(16)13(9)19)10-5-8(15)6-17-14(10)18/h2-7,19H,1H3.
What are the key properties of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol?
2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol has a molecular weight of 321.15 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-6-fluorophenol is sourced from PubChem (CID 144646912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).