3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

C17H17Cl2FN2O2 — CID 46946422

IUPAC3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESCOc1cc(Cl)c(F)cc1O[C@@H](c1cncc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C17H17Cl2FN2O2/c1-23-15-5-13(19)14(20)6-16(15)24-17(10-2-3-21-7-10)11-4-12(18)9-22-8-11/h4-6,8-10,17,21H,2-3,7H2,1H3/t10-,17+/m0/s1
InChIKeyFDWAUJFHYZDDHV-DYZYQPBXSA-N
MW371.24 g/mol
LogP4.27
Rot. Bonds5

About 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (PubChem CID 46946422) has the molecular formula C17H17Cl2FN2O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
PubChem CID46946422
Molecular FormulaC17H17Cl2FN2O2
Molecular Weight371.24 g/mol
Exact Mass370.07
IUPAC Name3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESCOc1cc(Cl)c(F)cc1O[C@@H](c1cncc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C17H17Cl2FN2O2/c1-23-15-5-13(19)14(20)6-16(15)24-17(10-2-3-21-7-10)11-4-12(18)9-22-8-11/h4-6,8-10,17,21H,2-3,7H2,1H3/t10-,17+/m0/s1
InChIKeyFDWAUJFHYZDDHV-DYZYQPBXSA-N
XLogP4.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine with MolForge

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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)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66752698
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-[(R)-(2,6-dichloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752522
3-[(S)-(2,6-dichloro-4-methylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752590
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935595
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (CID 46946422) is 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is COc1cc(Cl)c(F)cc1O[C@@H](c1cncc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is FDWAUJFHYZDDHV-DYZYQPBXSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2/c1-23-15-5-13(19)14(20)6-16(15)24-17(10-2-3-21-7-10)11-4-12(18)9-22-8-11/h4-6,8-10,17,21H,2-3,7H2,1H3/t10-,17+/m0/s1.
What are the key properties of 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 371.24 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 46946422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).