3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

C18H20Cl2N2O — CID 66752698

IUPAC3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESCc1cc(Cl)cc(C)c1O[C@@H](c1cncc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C18H20Cl2N2O/c1-11-5-15(19)6-12(2)17(11)23-18(13-3-4-21-8-13)14-7-16(20)10-22-9-14/h5-7,9-10,13,18,21H,3-4,8H2,1-2H3/t13-,18+/m0/s1
InChIKeyLDUNQWRBRFNGFK-SCLBCKFNSA-N
MW351.28 g/mol
LogP4.73
Rot. Bonds4

About 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (PubChem CID 66752698) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
PubChem CID66752698
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESCc1cc(Cl)cc(C)c1O[C@@H](c1cncc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C18H20Cl2N2O/c1-11-5-15(19)6-12(2)17(11)23-18(13-3-4-21-8-13)14-7-16(20)10-22-9-14/h5-7,9-10,13,18,21H,3-4,8H2,1-2H3/t13-,18+/m0/s1
InChIKeyLDUNQWRBRFNGFK-SCLBCKFNSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[pyrrolidin-3-yl-(2,4,5-trichlorophenoxy)methyl]pyridine
CID 75246264
3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946421
3-[(S)-(2,6-dichloro-4-methylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752590
3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946422
3-[(R)-(2,6-dichloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752522
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
4-[(S)-(2,6-dichlorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752999
3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66754036
3-[(R)-(2-chloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 46946035
5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 77226042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (CID 66752698) is 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is Cc1cc(Cl)cc(C)c1O[C@@H](c1cncc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is LDUNQWRBRFNGFK-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-11-5-15(19)6-12(2)17(11)23-18(13-3-4-21-8-13)14-7-16(20)10-22-9-14/h5-7,9-10,13,18,21H,3-4,8H2,1-2H3/t13-,18+/m0/s1.
What are the key properties of 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 351.28 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 66752698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).