4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine

C8H8FIN2 — CID 134376327

IUPAC4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCn1c(I)cc2c1=NCCC=2F
InChIInChI=1S/C8H8FIN2/c1-12-7(10)4-5-6(9)2-3-11-8(5)12/h4H,2-3H2,1H3
InChIKeyKMPGSYIXVAZKCE-UHFFFAOYSA-N
MW278.07 g/mol
LogP0.73
Rot. Bonds

About 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine

4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 134376327) has the molecular formula C8H8FIN2 and a molecular weight of 278.07 g/mol. Its IUPAC name is 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID134376327
Molecular FormulaC8H8FIN2
Molecular Weight278.07 g/mol
Exact Mass277.97
IUPAC Name4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCn1c(I)cc2c1=NCCC=2F
InChIInChI=1S/C8H8FIN2/c1-12-7(10)4-5-6(9)2-3-11-8(5)12/h4H,2-3H2,1H3
InChIKeyKMPGSYIXVAZKCE-UHFFFAOYSA-N
XLogP0.73
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 134376327) is 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine is Cn1c(I)cc2c1=NCCC=2F.
What is the InChIKey of 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is KMPGSYIXVAZKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2/c1-12-7(10)4-5-6(9)2-3-11-8(5)12/h4H,2-3H2,1H3.
What are the key properties of 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 278.07 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134376327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).