2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine

C22H24FNO — CID 19765570

IUPAC2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine
SMILESCCCOc1ccc(C2CCC(C#Cc3ccc(F)nc3)CC2)cc1
InChIInChI=1S/C22H24FNO/c1-2-15-25-21-12-10-20(11-13-21)19-8-5-17(6-9-19)3-4-18-7-14-22(23)24-16-18/h7,10-14,16-17,19H,2,5-6,8-9,15H2,1H3
InChIKeyJGNIPNBTHRMACY-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.34
Rot. Bonds4

About 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine

2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine (PubChem CID 19765570) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine
PubChem CID19765570
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine
SMILESCCCOc1ccc(C2CCC(C#Cc3ccc(F)nc3)CC2)cc1
InChIInChI=1S/C22H24FNO/c1-2-15-25-21-12-10-20(11-13-21)19-8-5-17(6-9-19)3-4-18-7-14-22(23)24-16-18/h7,10-14,16-17,19H,2,5-6,8-9,15H2,1H3
InChIKeyJGNIPNBTHRMACY-UHFFFAOYSA-N
XLogP5.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-propoxyphenyl)cyclohexyl]prop-2-ynenitrile
CID 18598595
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
1-heptoxy-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohexyl]benzene
CID 19984502
3-[4-(4-butoxyphenyl)cyclohexyl]prop-2-ynenitrile
CID 18598588
1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene
CID 19984146
1-butyl-4-[2-[4-(4-ethoxyphenyl)cyclohexyl]ethynyl]benzene
CID 19985066
1-methoxy-4-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]benzene
CID 19984230
1-butyl-4-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]benzene
CID 19983873
5-butoxy-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyridine;5-propoxy-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyridine
CID 161141309
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
1-butoxy-2,3-difluoro-4-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]benzene
CID 19983746

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine?
The IUPAC name of 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine (CID 19765570) is 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine?
The canonical SMILES for 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine is CCCOc1ccc(C2CCC(C#Cc3ccc(F)nc3)CC2)cc1.
What is the InChIKey of 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine?
The InChIKey is JGNIPNBTHRMACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c1-2-15-25-21-12-10-20(11-13-21)19-8-5-17(6-9-19)3-4-18-7-14-22(23)24-16-18/h7,10-14,16-17,19H,2,5-6,8-9,15H2,1H3.
What are the key properties of 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine?
2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine has a molecular weight of 337.44 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[4-(4-propoxyphenyl)cyclohexyl]ethynyl]pyridine is sourced from PubChem (CID 19765570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).