3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine

C15H13ClF3N3O — CID 166605932

IUPAC3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
SMILESFC(F)(F)c1cc(N2CCC(Oc3ccncc3Cl)C2)ccn1
InChIInChI=1S/C15H13ClF3N3O/c16-12-8-20-4-2-13(12)23-11-3-6-22(9-11)10-1-5-21-14(7-10)15(17,18)19/h1-2,4-5,7-8,11H,3,6,9H2
InChIKeySSDOFDLCGJZWBG-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.81
Rot. Bonds3

About 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine

3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine (PubChem CID 166605932) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
PubChem CID166605932
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
SMILESFC(F)(F)c1cc(N2CCC(Oc3ccncc3Cl)C2)ccn1
InChIInChI=1S/C15H13ClF3N3O/c16-12-8-20-4-2-13(12)23-11-3-6-22(9-11)10-1-5-21-14(7-10)15(17,18)19/h1-2,4-5,7-8,11H,3,6,9H2
InChIKeySSDOFDLCGJZWBG-UHFFFAOYSA-N
XLogP3.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
CID 20701175
4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 122539738
7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine
CID 166603629
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
3-chloro-4-[(3S)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyaniline
CID 142522162
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166603493
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 139027125
1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121017876
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine (CID 166605932) is 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine is FC(F)(F)c1cc(N2CCC(Oc3ccncc3Cl)C2)ccn1.
What is the InChIKey of 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine?
The InChIKey is SSDOFDLCGJZWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c16-12-8-20-4-2-13(12)23-11-3-6-22(9-11)10-1-5-21-14(7-10)15(17,18)19/h1-2,4-5,7-8,11H,3,6,9H2.
What are the key properties of 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine?
3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine has a molecular weight of 343.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 166605932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).