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

C16H14Cl2F2N2O — CID 87135446

IUPAC2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
SMILESFc1c(Cl)nc(O[C@H](c2ccccc2)C2CCNC2)c(F)c1Cl
InChIInChI=1S/C16H14Cl2F2N2O/c17-11-12(19)15(18)22-16(13(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
InChIKeyDOTGCCHTAVCQRG-LNUXAPHWSA-N
MW359.20 g/mol
LogP4.40
Rot. Bonds4

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

2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine (PubChem CID 87135446) has the molecular formula C16H14Cl2F2N2O and a molecular weight of 359.20 g/mol. Its IUPAC name is 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
PubChem CID87135446
Molecular FormulaC16H14Cl2F2N2O
Molecular Weight359.20 g/mol
Exact Mass358.05
IUPAC Name2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
SMILESFc1c(Cl)nc(O[C@H](c2ccccc2)C2CCNC2)c(F)c1Cl
InChIInChI=1S/C16H14Cl2F2N2O/c17-11-12(19)15(18)22-16(13(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
InChIKeyDOTGCCHTAVCQRG-LNUXAPHWSA-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

3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752545
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile
CID 66752292
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 87135499
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
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
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The IUPAC name of 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine (CID 87135446) is 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine.
What is the SMILES notation for 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The canonical SMILES for 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine is Fc1c(Cl)nc(O[C@H](c2ccccc2)C2CCNC2)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The InChIKey is DOTGCCHTAVCQRG-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O/c17-11-12(19)15(18)22-16(13(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 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(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 2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine is sourced from PubChem (CID 87135446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).