2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine

C16H15F2IN2 — CID 18182235

IUPAC2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine
SMILESFC1CN(c2ccc(I)c(Cc3ccccc3)n2)CC1F
InChIInChI=1S/C16H15F2IN2/c17-12-9-21(10-13(12)18)16-7-6-14(19)15(20-16)8-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2
InChIKeyRTDLQBLKCQTEEZ-UHFFFAOYSA-N
MW400.21 g/mol
LogP3.77
Rot. Bonds3

About 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine

2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine (PubChem CID 18182235) has the molecular formula C16H15F2IN2 and a molecular weight of 400.21 g/mol. Its IUPAC name is 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine.

Molecular Properties

Compound Name2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine
PubChem CID18182235
Molecular FormulaC16H15F2IN2
Molecular Weight400.21 g/mol
Exact Mass400.02
IUPAC Name2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine
SMILESFC1CN(c2ccc(I)c(Cc3ccccc3)n2)CC1F
InChIInChI=1S/C16H15F2IN2/c17-12-9-21(10-13(12)18)16-7-6-14(19)15(20-16)8-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2
InChIKeyRTDLQBLKCQTEEZ-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine?
The IUPAC name of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine (CID 18182235) is 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine.
What is the SMILES notation for 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine?
The canonical SMILES for 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine is FC1CN(c2ccc(I)c(Cc3ccccc3)n2)CC1F.
What is the InChIKey of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine?
The InChIKey is RTDLQBLKCQTEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2IN2/c17-12-9-21(10-13(12)18)16-7-6-14(19)15(20-16)8-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2.
What are the key properties of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine?
2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine has a molecular weight of 400.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)-3-iodopyridine is sourced from PubChem (CID 18182235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).