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

C11H14F2N2O — CID 145415333

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 Name4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
PubChem CID145415333
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name4-(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
XLogP2.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313711
5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
CID 70968627
[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
CID 152529548
4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine
CID 174170107
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
3-methoxy-5-(1-methylpyrrolidin-3-yl)oxypyridine
CID 134434870
5-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]oxyaniline
CID 170995493

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).