2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine

C16H12F2N2 — CID 90193053

IUPAC2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine
SMILESFc1ccc(-c2ccc(Cn3cccc3)cn2)cc1F
InChIInChI=1S/C16H12F2N2/c17-14-5-4-13(9-15(14)18)16-6-3-12(10-19-16)11-20-7-1-2-8-20/h1-10H,11H2
InChIKeyYCCGHUFVFKNSTA-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.88
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine

2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine (PubChem CID 90193053) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine
PubChem CID90193053
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine
SMILESFc1ccc(-c2ccc(Cn3cccc3)cn2)cc1F
InChIInChI=1S/C16H12F2N2/c17-14-5-4-13(9-15(14)18)16-6-3-12(10-19-16)11-20-7-1-2-8-20/h1-10H,11H2
InChIKeyYCCGHUFVFKNSTA-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine (CID 90193053) is 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine is Fc1ccc(-c2ccc(Cn3cccc3)cn2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine?
The InChIKey is YCCGHUFVFKNSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-14-5-4-13(9-15(14)18)16-6-3-12(10-19-16)11-20-7-1-2-8-20/h1-10H,11H2.
What are the key properties of 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine?
2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine has a molecular weight of 270.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine is sourced from PubChem (CID 90193053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).