4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine

C15H15ClN2O — CID 163353082

IUPAC4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
SMILESClc1cccc(CN2CC(Oc3ccncc3)C2)c1
InChIInChI=1S/C15H15ClN2O/c16-13-3-1-2-12(8-13)9-18-10-15(11-18)19-14-4-6-17-7-5-14/h1-8,15H,9-11H2
InChIKeyUAFAGKZNVQFPAE-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.00
Rot. Bonds4

About 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine

4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine (PubChem CID 163353082) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
PubChem CID163353082
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
SMILESClc1cccc(CN2CC(Oc3ccncc3)C2)c1
InChIInChI=1S/C15H15ClN2O/c16-13-3-1-2-12(8-13)9-18-10-15(11-18)19-14-4-6-17-7-5-14/h1-8,15H,9-11H2
InChIKeyUAFAGKZNVQFPAE-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
CID 155800422
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
CID 164927220
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 36998498
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine?
The IUPAC name of 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine (CID 163353082) is 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine?
The canonical SMILES for 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine is Clc1cccc(CN2CC(Oc3ccncc3)C2)c1.
What is the InChIKey of 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine?
The InChIKey is UAFAGKZNVQFPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-3-1-2-12(8-13)9-18-10-15(11-18)19-14-4-6-17-7-5-14/h1-8,15H,9-11H2.
What are the key properties of 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine?
4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine has a molecular weight of 274.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine is sourced from PubChem (CID 163353082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).