3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine

C14H13Cl2N3O — CID 20701175

IUPAC3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
SMILESClc1cnc(O[C@H]2CCN(c3ccncc3)C2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c15-10-7-13(16)14(18-8-10)20-12-3-6-19(9-12)11-1-4-17-5-2-11/h1-2,4-5,7-8,12H,3,6,9H2/t12-/m0/s1
InChIKeyRWZCRWIARRUIPJ-LBPRGKRZSA-N
MW310.18 g/mol
LogP3.44
Rot. Bonds3

About 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine

3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine (PubChem CID 20701175) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
PubChem CID20701175
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
SMILESClc1cnc(O[C@H]2CCN(c3ccncc3)C2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c15-10-7-13(16)14(18-8-10)20-12-3-6-19(9-12)11-1-4-17-5-2-11/h1-2,4-5,7-8,12H,3,6,9H2/t12-/m0/s1
InChIKeyRWZCRWIARRUIPJ-LBPRGKRZSA-N
XLogP3.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-5-chloropyrimidine
CID 139028724
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
4-[3-(3-methyl-4-methylsulfanylphenoxy)pyrrolidin-1-yl]pyridine
CID 18357117
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166964
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
CID 70874734
5-chloro-4-[3-[(3,5-dichloro-2-pyridinyl)oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 162513971
3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 172635069
[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313502

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine (CID 20701175) is 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine is Clc1cnc(O[C@H]2CCN(c3ccncc3)C2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine?
The InChIKey is RWZCRWIARRUIPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-10-7-13(16)14(18-8-10)20-12-3-6-19(9-12)11-1-4-17-5-2-11/h1-2,4-5,7-8,12H,3,6,9H2/t12-/m0/s1.
What are the key properties of 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine?
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine has a molecular weight of 310.18 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 20701175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).