6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H6FIN2 — CID 134376306

IUPAC6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFC1CC=c2cc(I)[nH]c2=N1
InChIInChI=1S/C7H6FIN2/c8-5-2-1-4-3-6(9)11-7(4)10-5/h1,3,5H,2H2,(H,10,11)
InChIKeyRTTCMASIFVCWCP-UHFFFAOYSA-N
MW264.04 g/mol
LogP0.72
Rot. Bonds

About 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134376306) has the molecular formula C7H6FIN2 and a molecular weight of 264.04 g/mol. Its IUPAC name is 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID134376306
Molecular FormulaC7H6FIN2
Molecular Weight264.04 g/mol
Exact Mass263.96
IUPAC Name6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFC1CC=c2cc(I)[nH]c2=N1
InChIInChI=1S/C7H6FIN2/c8-5-2-1-4-3-6(9)11-7(4)10-5/h1,3,5H,2H2,(H,10,11)
InChIKeyRTTCMASIFVCWCP-UHFFFAOYSA-N
XLogP0.72
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 134376306) is 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is FC1CC=c2cc(I)[nH]c2=N1.
What is the InChIKey of 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RTTCMASIFVCWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2/c8-5-2-1-4-3-6(9)11-7(4)10-5/h1,3,5H,2H2,(H,10,11).
What are the key properties of 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 264.04 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134376306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).