6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine

C13H9BrFN3 — CID 90413559

IUPAC6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cncc(Cc2c(Br)cnc3cc[nH]c23)c1
InChIInChI=1S/C13H9BrFN3/c14-11-7-18-12-1-2-17-13(12)10(11)4-8-3-9(15)6-16-5-8/h1-3,5-7,17H,4H2
InChIKeyGTDSTULQSNHSSX-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.45
Rot. Bonds2

About 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine

6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 90413559) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID90413559
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cncc(Cc2c(Br)cnc3cc[nH]c23)c1
InChIInChI=1S/C13H9BrFN3/c14-11-7-18-12-1-2-17-13(12)10(11)4-8-3-9(15)6-16-5-8/h1-3,5-7,17H,4H2
InChIKeyGTDSTULQSNHSSX-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine (CID 90413559) is 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine is Fc1cncc(Cc2c(Br)cnc3cc[nH]c23)c1.
What is the InChIKey of 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is GTDSTULQSNHSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-11-7-18-12-1-2-17-13(12)10(11)4-8-3-9(15)6-16-5-8/h1-3,5-7,17H,4H2.
What are the key properties of 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 306.14 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[(5-fluoro-3-pyridinyl)methyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 90413559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).