2-[difluoro(pyrrolidin-3-yl)methyl]pyridine

C10H12F2N2 — CID 116839129

IUPAC2-[difluoro(pyrrolidin-3-yl)methyl]pyridine
SMILESFC(F)(c1ccccn1)C1CCNC1
InChIInChI=1S/C10H12F2N2/c11-10(12,8-4-6-13-7-8)9-3-1-2-5-14-9/h1-3,5,8,13H,4,6-7H2
InChIKeyCEYQBUWJNLTNTP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.78
Rot. Bonds2

About 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine

2-[difluoro(pyrrolidin-3-yl)methyl]pyridine (PubChem CID 116839129) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[difluoro(pyrrolidin-3-yl)methyl]pyridine
PubChem CID116839129
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[difluoro(pyrrolidin-3-yl)methyl]pyridine
SMILESFC(F)(c1ccccn1)C1CCNC1
InChIInChI=1S/C10H12F2N2/c11-10(12,8-4-6-13-7-8)9-3-1-2-5-14-9/h1-3,5,8,13H,4,6-7H2
InChIKeyCEYQBUWJNLTNTP-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine 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-[difluoro(pyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine (CID 116839129) is 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine is FC(F)(c1ccccn1)C1CCNC1.
What is the InChIKey of 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine?
The InChIKey is CEYQBUWJNLTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-10(12,8-4-6-13-7-8)9-3-1-2-5-14-9/h1-3,5,8,13H,4,6-7H2.
What are the key properties of 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine?
2-[difluoro(pyrrolidin-3-yl)methyl]pyridine has a molecular weight of 198.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(pyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 116839129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).