6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine

C27H37F2NO — CID 20730980

IUPAC6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine
SMILESCCCCCCCCC(F)COc1ccc(-c2ccc(C3CCCCC3)cc2)nc1F
InChIInChI=1S/C27H37F2NO/c1-2-3-4-5-6-10-13-24(28)20-31-26-19-18-25(30-27(26)29)23-16-14-22(15-17-23)21-11-8-7-9-12-21/h14-19,21,24H,2-13,20H2,1H3
InChIKeyMOCNKUJDBJJSCD-UHFFFAOYSA-N
MW429.60 g/mol
LogP8.40
Rot. Bonds12

About 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine

6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine (PubChem CID 20730980) has the molecular formula C27H37F2NO and a molecular weight of 429.60 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine
PubChem CID20730980
Molecular FormulaC27H37F2NO
Molecular Weight429.60 g/mol
Exact Mass429.28
IUPAC Name6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine
SMILESCCCCCCCCC(F)COc1ccc(-c2ccc(C3CCCCC3)cc2)nc1F
InChIInChI=1S/C27H37F2NO/c1-2-3-4-5-6-10-13-24(28)20-31-26-19-18-25(30-27(26)29)23-16-14-22(15-17-23)21-11-8-7-9-12-21/h14-19,21,24H,2-13,20H2,1H3
InChIKeyMOCNKUJDBJJSCD-UHFFFAOYSA-N
XLogP8.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis(phenoxymethyl)pyridine
CID 607867
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2-(3-(4-Isopropylphenoxy)prop-1-ynyl)-6-methylpyridine
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2-(4-Methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
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3-[(4-Fluorophenyl)methoxy]-2-methylquinoline
CID 3787931
3-[(3-Methoxyphenyl)methoxy]-2-methylquinoline
CID 3833793
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpyridine
CID 44391710
2-[(4-Cyclohexylphenoxy)methyl]pyridine
CID 44522548
1-Methyl-2,6-bis[(4-methylphenoxy)methyl]pyridin-1-ium
CID 71605712
1-Methyl-2,6-bis[3-(4-methylphenoxy)propyl]pyridin-1-ium
CID 71606880
8-[(4-Fluorobenzyl)oxy]-2-methylquinoline
CID 6460061
US10155760, Example 149
CID 118420636

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine?
The IUPAC name of 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine (CID 20730980) is 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine?
The canonical SMILES for 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine is CCCCCCCCC(F)COc1ccc(-c2ccc(C3CCCCC3)cc2)nc1F.
What is the InChIKey of 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine?
The InChIKey is MOCNKUJDBJJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F2NO/c1-2-3-4-5-6-10-13-24(28)20-31-26-19-18-25(30-27(26)29)23-16-14-22(15-17-23)21-11-8-7-9-12-21/h14-19,21,24H,2-13,20H2,1H3.
What are the key properties of 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine?
6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine has a molecular weight of 429.60 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-2-fluoro-3-(2-fluorodecoxy)pyridine is sourced from PubChem (CID 20730980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).