3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine

C7H4FIN2 — CID 58065607

IUPAC3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine
SMILESFc1cnc2c(c1)C(I)=NC2
InChIInChI=1S/C7H4FIN2/c8-4-1-5-6(10-2-4)3-11-7(5)9/h1-2H,3H2
InChIKeyUNFSBIZNZKZCBC-UHFFFAOYSA-N
MW262.02 g/mol
LogP1.92
Rot. Bonds

About 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine

3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine (PubChem CID 58065607) has the molecular formula C7H4FIN2 and a molecular weight of 262.02 g/mol. Its IUPAC name is 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine
PubChem CID58065607
Molecular FormulaC7H4FIN2
Molecular Weight262.02 g/mol
Exact Mass261.94
IUPAC Name3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine
SMILESFc1cnc2c(c1)C(I)=NC2
InChIInChI=1S/C7H4FIN2/c8-4-1-5-6(10-2-4)3-11-7(5)9/h1-2H,3H2
InChIKeyUNFSBIZNZKZCBC-UHFFFAOYSA-N
XLogP1.92
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 161472826
3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine
CID 165091624
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 133063202
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 58119921
3-fluoro-6-methyliodanuidyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176960972
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
3-fluoro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 177053588
2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 158833723
4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine
CID 134526901
5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine
CID 156622129
3-fluoro-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 84653474
5-fluoro-3-iodothieno[2,3-b]pyridine
CID 21062217

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine (CID 58065607) is 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine is Fc1cnc2c(c1)C(I)=NC2.
What is the InChIKey of 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine?
The InChIKey is UNFSBIZNZKZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIN2/c8-4-1-5-6(10-2-4)3-11-7(5)9/h1-2H,3H2.
What are the key properties of 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine?
3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 262.02 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 58065607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).