3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine

C14H11BrFN3O — CID 67814493

IUPAC3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2cc(F)c(OCc3ccccn3)nc21
InChIInChI=1S/C14H11BrFN3O/c1-19-7-11(15)10-6-12(16)14(18-13(10)19)20-8-9-4-2-3-5-17-9/h2-7H,8H2,1H3
InChIKeyFACZKYSJCJUHBH-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.45
Rot. Bonds3

About 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine

3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine (PubChem CID 67814493) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine
PubChem CID67814493
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2cc(F)c(OCc3ccccn3)nc21
InChIInChI=1S/C14H11BrFN3O/c1-19-7-11(15)10-6-12(16)14(18-13(10)19)20-8-9-4-2-3-5-17-9/h2-7H,8H2,1H3
InChIKeyFACZKYSJCJUHBH-UHFFFAOYSA-N
XLogP3.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine (CID 67814493) is 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine is Cn1cc(Br)c2cc(F)c(OCc3ccccn3)nc21.
What is the InChIKey of 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine?
The InChIKey is FACZKYSJCJUHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c1-19-7-11(15)10-6-12(16)14(18-13(10)19)20-8-9-4-2-3-5-17-9/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine?
3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine has a molecular weight of 336.16 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67814493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).