1-benzyl-6,7-difluoroindeno[2,1-b]pyridine

C19H13F2N — CID 132522373

IUPAC1-benzyl-6,7-difluoroindeno[2,1-b]pyridine
SMILESFc1cc2cc3n(Cc4ccccc4)cccc-3c2cc1F
InChIInChI=1S/C19H13F2N/c20-17-9-14-10-19-15(16(14)11-18(17)21)7-4-8-22(19)12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyKFGJWAIDGZJAJQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP5.07
Rot. Bonds2

About 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine

1-benzyl-6,7-difluoroindeno[2,1-b]pyridine (PubChem CID 132522373) has the molecular formula C19H13F2N and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine.

Molecular Properties

Compound Name1-benzyl-6,7-difluoroindeno[2,1-b]pyridine
PubChem CID132522373
Molecular FormulaC19H13F2N
Molecular Weight293.32 g/mol
Exact Mass293.10
IUPAC Name1-benzyl-6,7-difluoroindeno[2,1-b]pyridine
SMILESFc1cc2cc3n(Cc4ccccc4)cccc-3c2cc1F
InChIInChI=1S/C19H13F2N/c20-17-9-14-10-19-15(16(14)11-18(17)21)7-4-8-22(19)12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyKFGJWAIDGZJAJQ-UHFFFAOYSA-N
XLogP5.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine?
The IUPAC name of 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine (CID 132522373) is 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine.
What is the SMILES notation for 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine?
The canonical SMILES for 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine is Fc1cc2cc3n(Cc4ccccc4)cccc-3c2cc1F.
What is the InChIKey of 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine?
The InChIKey is KFGJWAIDGZJAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N/c20-17-9-14-10-19-15(16(14)11-18(17)21)7-4-8-22(19)12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine?
1-benzyl-6,7-difluoroindeno[2,1-b]pyridine has a molecular weight of 293.32 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-difluoroindeno[2,1-b]pyridine is sourced from PubChem (CID 132522373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).