ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine

C16H26FNO — CID 177327862

IUPACethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine
SMILESCC.CCC1CCC(c2c(OC)ccnc2F)CC1
InChIInChI=1S/C14H20FNO.C2H6/c1-3-10-4-6-11(7-5-10)13-12(17-2)8-9-16-14(13)15;1-2/h8-11H,3-7H2,1-2H3;1-2H3
InChIKeyNPSGOVBJAXUKCC-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.94
Rot. Bonds3

About ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine

ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine (PubChem CID 177327862) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine.

Molecular Properties

Compound Nameethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine
PubChem CID177327862
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Nameethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine
SMILESCC.CCC1CCC(c2c(OC)ccnc2F)CC1
InChIInChI=1S/C14H20FNO.C2H6/c1-3-10-4-6-11(7-5-10)13-12(17-2)8-9-16-14(13)15;1-2/h8-11H,3-7H2,1-2H3;1-2H3
InChIKeyNPSGOVBJAXUKCC-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.94
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

3-cyclopropyl-2-fluoro-4-methoxypyridine
CID 172993168
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
4-(4-ethylcyclohexyl)-8-fluoroquinoline
CID 155416400
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
CID 145231747
2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 45083842
ethane;ethylcyclopropane
CID 91380076
2-[4-[4-[[4-(4-ethylcyclohexyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88963986
2-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-4-(3,4,5-trifluorophenoxy)benzene
CID 173305887
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene
CID 134358390
2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorophenoxy]ethane-1,1-diol
CID 178066806

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine?
The IUPAC name of ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine (CID 177327862) is ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine.
What is the SMILES notation for ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine?
The canonical SMILES for ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine is CC.CCC1CCC(c2c(OC)ccnc2F)CC1.
What is the InChIKey of ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine?
The InChIKey is NPSGOVBJAXUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.C2H6/c1-3-10-4-6-11(7-5-10)13-12(17-2)8-9-16-14(13)15;1-2/h8-11H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine?
ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine has a molecular weight of 267.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine is sourced from PubChem (CID 177327862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).