2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine

C20H24FNO — CID 20591686

IUPAC2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine
SMILESCOCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)nc1F
InChIInChI=1S/C20H24FNO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)19-12-11-18(13-23-2)20(21)22-19/h7-12,14-15H,3-6,13H2,1-2H3
InChIKeyHAHAAAXTVWTWSF-UHFFFAOYSA-N
MW313.42 g/mol
LogP5.33
Rot. Bonds4

About 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine

2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine (PubChem CID 20591686) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine
PubChem CID20591686
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine
SMILESCOCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)nc1F
InChIInChI=1S/C20H24FNO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)19-12-11-18(13-23-2)20(21)22-19/h7-12,14-15H,3-6,13H2,1-2H3
InChIKeyHAHAAAXTVWTWSF-UHFFFAOYSA-N
XLogP5.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.42
LogP ≤ 55.33
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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Related Compounds

4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
(2,6-Diisopropyl-5-pentyl-4-p-tolyl-pyridin-3-yl)-methanol
CID 22004877
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine (CID 20591686) is 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine is COCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)nc1F.
What is the InChIKey of 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine?
The InChIKey is HAHAAAXTVWTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)19-12-11-18(13-23-2)20(21)22-19/h7-12,14-15H,3-6,13H2,1-2H3.
What are the key properties of 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine?
2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine has a molecular weight of 313.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(methoxymethyl)-6-[4-(4-methylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 20591686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).