2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine

C25H34FNO — CID 19101303

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(OC)cc3F)nc2)CC1
InChIInChI=1S/C25H34FNO/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-16-25(27-18-21)23-15-14-22(28-2)17-24(23)26/h13-20H,3-12H2,1-2H3
InChIKeyGBLLROCXKOPPMZ-UHFFFAOYSA-N
MW383.55 g/mol
LogP7.53
Rot. Bonds9

About 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine

2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine (PubChem CID 19101303) has the molecular formula C25H34FNO and a molecular weight of 383.55 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine
PubChem CID19101303
Molecular FormulaC25H34FNO
Molecular Weight383.55 g/mol
Exact Mass383.26
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(OC)cc3F)nc2)CC1
InChIInChI=1S/C25H34FNO/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-16-25(27-18-21)23-15-14-22(28-2)17-24(23)26/h13-20H,3-12H2,1-2H3
InChIKeyGBLLROCXKOPPMZ-UHFFFAOYSA-N
XLogP7.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.55
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
CID 19101182
2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine
CID 19101227
2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383432
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383557
4-[4-[[2,6-difluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorobenzonitrile
CID 58383698
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine (CID 19101303) is 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine is CCCCCCCC1CCC(c2ccc(-c3ccc(OC)cc3F)nc2)CC1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine?
The InChIKey is GBLLROCXKOPPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-16-25(27-18-21)23-15-14-22(28-2)17-24(23)26/h13-20H,3-12H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine?
2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine has a molecular weight of 383.55 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine is sourced from PubChem (CID 19101303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).