3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

C16H16Cl2N2O — CID 66753028

IUPAC3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESClc1cnc(OC(c2ccccc2)[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c17-13-8-14(18)16(20-10-13)21-15(12-6-7-19-9-12)11-4-2-1-3-5-11/h1-5,8,10,12,15,19H,6-7,9H2/t12-,15?/m0/s1
InChIKeyFJEXZPXBKFOYOM-SFVWDYPZSA-N
MW323.22 g/mol
LogP4.12
Rot. Bonds4

About 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66753028) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66753028
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESClc1cnc(OC(c2ccccc2)[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c17-13-8-14(18)16(20-10-13)21-15(12-6-7-19-9-12)11-4-2-1-3-5-11/h1-5,8,10,12,15,19H,6-7,9H2/t12-,15?/m0/s1
InChIKeyFJEXZPXBKFOYOM-SFVWDYPZSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715
5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 77226165
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 87135446
3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752545
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
2-fluoro-5-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752597
2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752347

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (CID 66753028) is 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is Clc1cnc(OC(c2ccccc2)[C@H]2CCNC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is FJEXZPXBKFOYOM-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-13-8-14(18)16(20-10-13)21-15(12-6-7-19-9-12)11-4-2-1-3-5-11/h1-5,8,10,12,15,19H,6-7,9H2/t12-,15?/m0/s1.
What are the key properties of 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 323.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66753028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).