3-fluoro-4H-pyrrolo[2,3-b]pyridine

C7H5FN2 — CID 125421369

IUPAC3-fluoro-4H-pyrrolo[2,3-b]pyridine
SMILESFC1=C2CC=CN=C2N=C1
InChIInChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1,3-4H,2H2
InChIKeyLBWWCRJQOCKBGI-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.61
Rot. Bonds

About 3-fluoro-4H-pyrrolo[2,3-b]pyridine

3-fluoro-4H-pyrrolo[2,3-b]pyridine (PubChem CID 125421369) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 3-fluoro-4H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-fluoro-4H-pyrrolo[2,3-b]pyridine
PubChem CID125421369
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name3-fluoro-4H-pyrrolo[2,3-b]pyridine
SMILESFC1=C2CC=CN=C2N=C1
InChIInChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1,3-4H,2H2
InChIKeyLBWWCRJQOCKBGI-UHFFFAOYSA-N
XLogP1.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-fluoro-4H-pyrrolo[2,3-b]pyridine (CID 125421369) is 3-fluoro-4H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-fluoro-4H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-fluoro-4H-pyrrolo[2,3-b]pyridine is FC1=C2CC=CN=C2N=C1.
What is the InChIKey of 3-fluoro-4H-pyrrolo[2,3-b]pyridine?
The InChIKey is LBWWCRJQOCKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1,3-4H,2H2.
What are the key properties of 3-fluoro-4H-pyrrolo[2,3-b]pyridine?
3-fluoro-4H-pyrrolo[2,3-b]pyridine has a molecular weight of 136.13 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 125421369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).