2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine

C13H11F3N2O — CID 134166734

IUPAC2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine
SMILESCC(F)(F)COc1ccc(-c2ncccc2F)nc1
InChIInChI=1S/C13H11F3N2O/c1-13(15,16)8-19-9-4-5-11(18-7-9)12-10(14)3-2-6-17-12/h2-7H,8H2,1H3
InChIKeySMWRQCMVQYMODQ-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.32
Rot. Bonds4

About 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine

2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine (PubChem CID 134166734) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine.

Molecular Properties

Compound Name2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine
PubChem CID134166734
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine
SMILESCC(F)(F)COc1ccc(-c2ncccc2F)nc1
InChIInChI=1S/C13H11F3N2O/c1-13(15,16)8-19-9-4-5-11(18-7-9)12-10(14)3-2-6-17-12/h2-7H,8H2,1H3
InChIKeySMWRQCMVQYMODQ-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine?
The IUPAC name of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine (CID 134166734) is 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine.
What is the SMILES notation for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine?
The canonical SMILES for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine is CC(F)(F)COc1ccc(-c2ncccc2F)nc1.
What is the InChIKey of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine?
The InChIKey is SMWRQCMVQYMODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-13(15,16)8-19-9-4-5-11(18-7-9)12-10(14)3-2-6-17-12/h2-7H,8H2,1H3.
What are the key properties of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine?
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine has a molecular weight of 268.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-fluoropyridine is sourced from PubChem (CID 134166734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).