2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine

C14H18FNS — CID 20692948

IUPAC2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine
SMILESCSC1CCC(/C=C/c2ccc(F)nc2)CC1
InChIInChI=1S/C14H18FNS/c1-17-13-7-4-11(5-8-13)2-3-12-6-9-14(15)16-10-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3/b3-2+
InChIKeyJAZWTYSGMKVGDC-NSCUHMNNSA-N
MW251.37 g/mol
LogP4.16
Rot. Bonds3

About 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine

2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine (PubChem CID 20692948) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine
PubChem CID20692948
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC Name2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine
SMILESCSC1CCC(/C=C/c2ccc(F)nc2)CC1
InChIInChI=1S/C14H18FNS/c1-17-13-7-4-11(5-8-13)2-3-12-6-9-14(15)16-10-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3/b3-2+
InChIKeyJAZWTYSGMKVGDC-NSCUHMNNSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine?
The IUPAC name of 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine (CID 20692948) is 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine?
The canonical SMILES for 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine is CSC1CCC(/C=C/c2ccc(F)nc2)CC1.
What is the InChIKey of 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine?
The InChIKey is JAZWTYSGMKVGDC-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H18FNS/c1-17-13-7-4-11(5-8-13)2-3-12-6-9-14(15)16-10-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3/b3-2+.
What are the key properties of 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine?
2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine has a molecular weight of 251.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine is sourced from PubChem (CID 20692948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).