4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine

Name: 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄F₂N₂O — CID 145415333

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine

SMILESCN1CCC(Oc2cnccc2C(F)F)C1

InChIInChI=1S/C11H14F2N2O/c1-15-5-3-8(7-15)16-10-6-14-4-2-9(10)11(12)13/h2,4,6,8,11H,3,5,7H2,1H3

InChIKeyKTYBPJXPVVGLCS-UHFFFAOYSA-N

MW228.24 g/mol

LogP2.10

Rot. Bonds3

About 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine

4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine (PubChem CID 145415333) has the molecular formula C₁₁H₁₄F₂N₂O and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name	4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
PubChem CID	145415333
Molecular Formula	C₁₁H₁₄F₂N₂O
Molecular Weight	228.24 g/mol
Exact Mass	228.11
IUPAC Name	4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
SMILES	CN1CCC(Oc2cnccc2C(F)F)C1
InChI	InChI=1S/C11H14F2N2O/c1-15-5-3-8(7-15)16-10-6-14-4-2-9(10)11(12)13/h2,4,6,8,11H,3,5,7H2,1H3
InChIKey	KTYBPJXPVVGLCS-UHFFFAOYSA-N
XLogP	2.10
TPSA	25.36 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.24
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine?

The IUPAC name of 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine (CID 145415333) is 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine.

What is the SMILES notation for 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine?

The canonical SMILES for 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine is CN1CCC(Oc2cnccc2C(F)F)C1.

What is the InChIKey of 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine?

The InChIKey is KTYBPJXPVVGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-15-5-3-8(7-15)16-10-6-14-4-2-9(10)11(12)13/h2,4,6,8,11H,3,5,7H2,1H3.

What are the key properties of 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine?

4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine has a molecular weight of 228.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 145415333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 145415333 — identifiers, structure, computed properties (public domain)

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