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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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).