2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine

C22H20ClFN2O — CID 46213000

IUPAC2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine
SMILESCOc1ccc(Cc2ccc(N3CCC3)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O/c1-27-19-8-7-17(22(24)21(19)16-4-2-5-18(23)13-16)12-15-6-9-20(25-14-15)26-10-3-11-26/h2,4-9,13-14H,3,10-12H2,1H3
InChIKeyFRFAYINIOQXXAO-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.35
Rot. Bonds5

About 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine

2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine (PubChem CID 46213000) has the molecular formula C22H20ClFN2O and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine
PubChem CID46213000
Molecular FormulaC22H20ClFN2O
Molecular Weight382.87 g/mol
Exact Mass382.12
IUPAC Name2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine
SMILESCOc1ccc(Cc2ccc(N3CCC3)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O/c1-27-19-8-7-17(22(24)21(19)16-4-2-5-18(23)13-16)12-15-6-9-20(25-14-15)26-10-3-11-26/h2,4-9,13-14H,3,10-12H2,1H3
InChIKeyFRFAYINIOQXXAO-UHFFFAOYSA-N
XLogP5.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-pyridinyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 155517226
N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 155529034
3-(3-Chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
CID 155552361
3-(4-Chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine
CID 162661285
1-[(3,5-Dimethyl-4-methoxyphenyl)methyl]-4-(2-pyridinyl)piperazine
CID 455372
N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridin-2-amine
CID 141732278
1-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine
CID 10717092
Pyridine, 2-((2-(dimethylamino)ethyl)(3-fluoro-4-methoxybenzyl)amino)-, monohydrochloride
CID 204773
1-[(4-Methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride
CID 45259205
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 145950204
N-(4-chlorophenyl)-6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-amine
CID 172437333
5-[4-(4-Chlorophenoxy)phenyl]pyridin-2-amine
CID 177376751

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine?
The IUPAC name of 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine (CID 46213000) is 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine?
The canonical SMILES for 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine is COc1ccc(Cc2ccc(N3CCC3)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine?
The InChIKey is FRFAYINIOQXXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O/c1-27-19-8-7-17(22(24)21(19)16-4-2-5-18(23)13-16)12-15-6-9-20(25-14-15)26-10-3-11-26/h2,4-9,13-14H,3,10-12H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine?
2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine has a molecular weight of 382.87 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine is sourced from PubChem (CID 46213000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).