3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

C17H19ClN2O2 — CID 46946421

IUPAC3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESCOc1ccccc1O[C@H](c1cncc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C17H19ClN2O2/c1-21-15-4-2-3-5-16(15)22-17(12-6-7-19-9-12)13-8-14(18)11-20-10-13/h2-5,8,10-12,17,19H,6-7,9H2,1H3/t12-,17-/m0/s1
InChIKeyMFHAIPVPYZUCLX-SJCJKPOMSA-N
MW318.80 g/mol
LogP3.47
Rot. Bonds5

About 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (PubChem CID 46946421) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
PubChem CID46946421
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESCOc1ccccc1O[C@H](c1cncc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C17H19ClN2O2/c1-21-15-4-2-3-5-16(15)22-17(12-6-7-19-9-12)13-8-14(18)11-20-10-13/h2-5,8,10-12,17,19H,6-7,9H2,1H3/t12-,17-/m0/s1
InChIKeyMFHAIPVPYZUCLX-SJCJKPOMSA-N
XLogP3.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946422
3-chloro-5-[pyrrolidin-3-yl-(2,4,5-trichlorophenoxy)methyl]pyridine
CID 75246264
3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66752698
2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752882
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
3-[(R)-(2-chloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 46946035
methyl 5-chloro-2-[(5-fluoro-3-pyridinyl)-[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 66752125
3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 87135499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (CID 46946421) is 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is COc1ccccc1O[C@H](c1cncc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is MFHAIPVPYZUCLX-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-21-15-4-2-3-5-16(15)22-17(12-6-7-19-9-12)13-8-14(18)11-20-10-13/h2-5,8,10-12,17,19H,6-7,9H2,1H3/t12-,17-/m0/s1.
What are the key properties of 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 318.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 46946421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).