methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate

C22H22FNO3 — CID 142414927

IUPACmethyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(C3C4CC5CC(C4)C3C5)cc2)c(F)c1
InChIInChI=1S/C22H22FNO3/c1-26-22(25)16-10-19(23)21(24-11-16)27-17-4-2-13(3-5-17)20-15-7-12-6-14(9-15)18(20)8-12/h2-5,10-12,14-15,18,20H,6-9H2,1H3
InChIKeyZXOOYLIBYWUPPB-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.95
Rot. Bonds4

About methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate

methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate (PubChem CID 142414927) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate
PubChem CID142414927
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Namemethyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(C3C4CC5CC(C4)C3C5)cc2)c(F)c1
InChIInChI=1S/C22H22FNO3/c1-26-22(25)16-10-19(23)21(24-11-16)27-17-4-2-13(3-5-17)20-15-7-12-6-14(9-15)18(20)8-12/h2-5,10-12,14-15,18,20H,6-9H2,1H3
InChIKeyZXOOYLIBYWUPPB-UHFFFAOYSA-N
XLogP4.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
CID 146325617
6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
CID 150923849
methyl 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
CID 146325743
6-(4-cyclopropylphenoxy)-5-fluoropyridine-3-carboxamide
CID 146305985
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
5-fluoro-6-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 146305979
1-[6-[4-(2-adamantyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
CID 161005843
methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
CID 59849870
1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one
CID 158615225
5-fluoro-6-[4-[1-(iodomethyl)cyclopropyl]phenoxy]-N-methylpyridine-3-carboxamide
CID 142414944

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate (CID 142414927) is methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate is COC(=O)c1cnc(Oc2ccc(C3C4CC5CC(C4)C3C5)cc2)c(F)c1.
What is the InChIKey of methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is ZXOOYLIBYWUPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-26-22(25)16-10-19(23)21(24-11-16)27-17-4-2-13(3-5-17)20-15-7-12-6-14(9-15)18(20)8-12/h2-5,10-12,14-15,18,20H,6-9H2,1H3.
What are the key properties of methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate?
methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 142414927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).