5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine

C13H7F2IN2 — CID 67959850

IUPAC5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(I)c2n1
InChIInChI=1S/C13H7F2IN2/c14-7-2-1-3-8(15)12(7)10-4-5-11-13(18-10)9(16)6-17-11/h1-6,17H
InChIKeyXCJSKZDPXFSHCN-UHFFFAOYSA-N
MW356.11 g/mol
LogP4.11
Rot. Bonds1

About 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine

5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine (PubChem CID 67959850) has the molecular formula C13H7F2IN2 and a molecular weight of 356.11 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine
PubChem CID67959850
Molecular FormulaC13H7F2IN2
Molecular Weight356.11 g/mol
Exact Mass355.96
IUPAC Name5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(I)c2n1
InChIInChI=1S/C13H7F2IN2/c14-7-2-1-3-8(15)12(7)10-4-5-11-13(18-10)9(16)6-17-11/h1-6,17H
InChIKeyXCJSKZDPXFSHCN-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine (CID 67959850) is 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine is Fc1cccc(F)c1-c1ccc2[nH]cc(I)c2n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is XCJSKZDPXFSHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2IN2/c14-7-2-1-3-8(15)12(7)10-4-5-11-13(18-10)9(16)6-17-11/h1-6,17H.
What are the key properties of 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine?
5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 356.11 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-iodo-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67959850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).