1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine

C13H7F3IN3 — CID 66656029

IUPAC1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
SMILESFc1ccc(Cn2nc(I)c3cc(F)cnc32)c(F)c1
InChIInChI=1S/C13H7F3IN3/c14-8-2-1-7(11(16)4-8)6-20-13-10(12(17)19-20)3-9(15)5-18-13/h1-5H,6H2
InChIKeySAYGWPKOAMPMKI-UHFFFAOYSA-N
MW389.12 g/mol
LogP3.50
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine

1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine (PubChem CID 66656029) has the molecular formula C13H7F3IN3 and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
PubChem CID66656029
Molecular FormulaC13H7F3IN3
Molecular Weight389.12 g/mol
Exact Mass388.96
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
SMILESFc1ccc(Cn2nc(I)c3cc(F)cnc32)c(F)c1
InChIInChI=1S/C13H7F3IN3/c14-8-2-1-7(11(16)4-8)6-20-13-10(12(17)19-20)3-9(15)5-18-13/h1-5H,6H2
InChIKeySAYGWPKOAMPMKI-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine (CID 66656029) is 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine is Fc1ccc(Cn2nc(I)c3cc(F)cnc32)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
The InChIKey is SAYGWPKOAMPMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3IN3/c14-8-2-1-7(11(16)4-8)6-20-13-10(12(17)19-20)3-9(15)5-18-13/h1-5H,6H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine has a molecular weight of 389.12 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine is sourced from PubChem (CID 66656029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).