5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine

C19H18FN — CID 70979688

IUPAC5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine
SMILESC[C@H]1CC[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)C1
InChIInChI=1S/C19H18FN/c1-14-5-9-17(11-14)19-10-8-16(13-21-19)7-6-15-3-2-4-18(20)12-15/h2-4,8,10,12-14,17H,5,9,11H2,1H3/t14-,17-/m0/s1
InChIKeyPKELBSQOJORNTE-YOEHRIQHSA-N
MW279.36 g/mol
LogP4.52
Rot. Bonds1

About 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine

5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine (PubChem CID 70979688) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine
PubChem CID70979688
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine
SMILESC[C@H]1CC[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)C1
InChIInChI=1S/C19H18FN/c1-14-5-9-17(11-14)19-10-8-16(13-21-19)7-6-15-3-2-4-18(20)12-15/h2-4,8,10,12-14,17H,5,9,11H2,1H3/t14-,17-/m0/s1
InChIKeyPKELBSQOJORNTE-YOEHRIQHSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine?
The IUPAC name of 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine (CID 70979688) is 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine is C[C@H]1CC[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)C1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine?
The InChIKey is PKELBSQOJORNTE-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H18FN/c1-14-5-9-17(11-14)19-10-8-16(13-21-19)7-6-15-3-2-4-18(20)12-15/h2-4,8,10,12-14,17H,5,9,11H2,1H3/t14-,17-/m0/s1.
What are the key properties of 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine?
5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine has a molecular weight of 279.36 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine is sourced from PubChem (CID 70979688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).