2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine

C17H19FN2O — CID 99936278

IUPAC2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine
SMILESCCOc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C17H19FN2O/c1-2-21-17-8-3-13(11-19-17)12-20-10-9-16(20)14-4-6-15(18)7-5-14/h3-8,11,16H,2,9-10,12H2,1H3/t16-/m1/s1
InChIKeyZOKVIXRXNJZNOD-MRXNPFEDSA-N
MW286.35 g/mol
LogP3.57
Rot. Bonds5

About 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine

2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine (PubChem CID 99936278) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine
PubChem CID99936278
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine
SMILESCCOc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C17H19FN2O/c1-2-21-17-8-3-13(11-19-17)12-20-10-9-16(20)14-4-6-15(18)7-5-14/h3-8,11,16H,2,9-10,12H2,1H3/t16-/m1/s1
InChIKeyZOKVIXRXNJZNOD-MRXNPFEDSA-N
XLogP3.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine
CID 99950270
1-[(6-ethoxy-3-pyridinyl)methyl]-4-(4-fluorophenyl)-1,4-diazepane
CID 77092564
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
(4S)-5-[(6-ethoxy-3-pyridinyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95220011
(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99876631
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144506976
1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 131949920
1-(disulfanyl)-4-[(6-ethoxy-3-pyridinyl)methyl]piperazine
CID 138603801
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine?
The IUPAC name of 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine (CID 99936278) is 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine is CCOc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cn1.
What is the InChIKey of 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine?
The InChIKey is ZOKVIXRXNJZNOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-21-17-8-3-13(11-19-17)12-20-10-9-16(20)14-4-6-15(18)7-5-14/h3-8,11,16H,2,9-10,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine?
2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine has a molecular weight of 286.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine is sourced from PubChem (CID 99936278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).