5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine

C21H18Cl2FN — CID 58443305

IUPAC5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine
SMILESC[C@@H](CCc1cc(-c2cccc(F)c2)c(Cl)cn1)c1cccc(Cl)c1
InChIInChI=1S/C21H18Cl2FN/c1-14(15-4-2-6-17(22)10-15)8-9-19-12-20(21(23)13-25-19)16-5-3-7-18(24)11-16/h2-7,10-14H,8-9H2,1H3/t14-/m0/s1
InChIKeyCJTSSDFRYGERQY-AWEZNQCLSA-N
MW374.29 g/mol
LogP6.93
Rot. Bonds5

About 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine

5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine (PubChem CID 58443305) has the molecular formula C21H18Cl2FN and a molecular weight of 374.29 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine
PubChem CID58443305
Molecular FormulaC21H18Cl2FN
Molecular Weight374.29 g/mol
Exact Mass373.08
IUPAC Name5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine
SMILESC[C@@H](CCc1cc(-c2cccc(F)c2)c(Cl)cn1)c1cccc(Cl)c1
InChIInChI=1S/C21H18Cl2FN/c1-14(15-4-2-6-17(22)10-15)8-9-19-12-20(21(23)13-25-19)16-5-3-7-18(24)11-16/h2-7,10-14H,8-9H2,1H3/t14-/m0/s1
InChIKeyCJTSSDFRYGERQY-AWEZNQCLSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.29
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(4'-Chlorobenzyl)pyridine
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13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663
2-Benzhydrylpyridine
CID 77250
2-(P-Chlorostyryl)pyridine
CID 219326
2,4-Bis(benzyl)pyridine
CID 96510
N-Methyldesloratadine
CID 31843
2-Chloro-5-phenylpyridine
CID 2762868

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine?
The IUPAC name of 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine (CID 58443305) is 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine.
What is the SMILES notation for 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine?
The canonical SMILES for 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine is C[C@@H](CCc1cc(-c2cccc(F)c2)c(Cl)cn1)c1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine?
The InChIKey is CJTSSDFRYGERQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18Cl2FN/c1-14(15-4-2-6-17(22)10-15)8-9-19-12-20(21(23)13-25-19)16-5-3-7-18(24)11-16/h2-7,10-14H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine?
5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine has a molecular weight of 374.29 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3S)-3-(3-chlorophenyl)butyl]-4-(3-fluorophenyl)pyridine is sourced from PubChem (CID 58443305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).