3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine

C16H14Cl2F2N2O — CID 66752545

IUPAC3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1nc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c(Cl)c(F)c1Cl
InChIInChI=1S/C16H14Cl2F2N2O/c17-11-13(19)12(18)16(22-15(11)20)23-14(10-6-7-21-8-10)9-4-2-1-3-5-9/h1-5,10,14,21H,6-8H2/t10-,14-/m1/s1
InChIKeyURYXWPNNTSBDOC-QMTHXVAHSA-N
MW359.20 g/mol
LogP4.40
Rot. Bonds4

About 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine

3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66752545) has the molecular formula C16H14Cl2F2N2O and a molecular weight of 359.20 g/mol. Its IUPAC name is 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66752545
Molecular FormulaC16H14Cl2F2N2O
Molecular Weight359.20 g/mol
Exact Mass358.05
IUPAC Name3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1nc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c(Cl)c(F)c1Cl
InChIInChI=1S/C16H14Cl2F2N2O/c17-11-13(19)12(18)16(22-15(11)20)23-14(10-6-7-21-8-10)9-4-2-1-3-5-9/h1-5,10,14,21H,6-8H2/t10-,14-/m1/s1
InChIKeyURYXWPNNTSBDOC-QMTHXVAHSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 87135446
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
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile
CID 66752292
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
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 87135499
3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
CID 76807736
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine (CID 66752545) is 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine is Fc1nc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c(Cl)c(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is URYXWPNNTSBDOC-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O/c17-11-13(19)12(18)16(22-15(11)20)23-14(10-6-7-21-8-10)9-4-2-1-3-5-9/h1-5,10,14,21H,6-8H2/t10-,14-/m1/s1.
What are the key properties of 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 359.20 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66752545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).