5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine

C10H9F2IN4 — CID 162583240

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine
SMILESFC1(F)CCN(c2ccc3[nH]c(I)nc3n2)C1
InChIInChI=1S/C10H9F2IN4/c11-10(12)3-4-17(5-10)7-2-1-6-8(15-7)16-9(13)14-6/h1-2H,3-5H2,(H,14,15,16)
InChIKeyIIFPYGDPIKKSCP-UHFFFAOYSA-N
MW350.11 g/mol
LogP2.41
Rot. Bonds1

About 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine

5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine (PubChem CID 162583240) has the molecular formula C10H9F2IN4 and a molecular weight of 350.11 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine
PubChem CID162583240
Molecular FormulaC10H9F2IN4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine
SMILESFC1(F)CCN(c2ccc3[nH]c(I)nc3n2)C1
InChIInChI=1S/C10H9F2IN4/c11-10(12)3-4-17(5-10)7-2-1-6-8(15-7)16-9(13)14-6/h1-2H,3-5H2,(H,14,15,16)
InChIKeyIIFPYGDPIKKSCP-UHFFFAOYSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine (CID 162583240) is 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine is FC1(F)CCN(c2ccc3[nH]c(I)nc3n2)C1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine?
The InChIKey is IIFPYGDPIKKSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IN4/c11-10(12)3-4-17(5-10)7-2-1-6-8(15-7)16-9(13)14-6/h1-2H,3-5H2,(H,14,15,16).
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine?
5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine has a molecular weight of 350.11 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162583240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).