3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine

C19H22FN — CID 54515120

IUPAC3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cnc(C3CCC(C)CC3)c(F)c2)cc1
InChIInChI=1S/C19H22FN/c1-13-3-7-15(8-4-13)17-11-18(20)19(21-12-17)16-9-5-14(2)6-10-16/h3-4,7-8,11-12,14,16H,5-6,9-10H2,1-2H3
InChIKeyYLWUWMYUSQACPK-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.49
Rot. Bonds2

About 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine

3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine (PubChem CID 54515120) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine
PubChem CID54515120
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cnc(C3CCC(C)CC3)c(F)c2)cc1
InChIInChI=1S/C19H22FN/c1-13-3-7-15(8-4-13)17-11-18(20)19(21-12-17)16-9-5-14(2)6-10-16/h3-4,7-8,11-12,14,16H,5-6,9-10H2,1-2H3
InChIKeyYLWUWMYUSQACPK-UHFFFAOYSA-N
XLogP5.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine?
The IUPAC name of 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine (CID 54515120) is 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine.
What is the SMILES notation for 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine?
The canonical SMILES for 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine is Cc1ccc(-c2cnc(C3CCC(C)CC3)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine?
The InChIKey is YLWUWMYUSQACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-3-7-15(8-4-13)17-11-18(20)19(21-12-17)16-9-5-14(2)6-10-16/h3-4,7-8,11-12,14,16H,5-6,9-10H2,1-2H3.
What are the key properties of 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine?
3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine has a molecular weight of 283.39 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine is sourced from PubChem (CID 54515120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).