[4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate

C18H20FNO6 — CID 67832828

IUPAC[4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OC)C1c1cccc(F)c1
InChIInChI=1S/C18H20FNO6/c1-10-15(25-17(21)23-4)14(12-7-6-8-13(19)9-12)16(11(2)20(10)3)26-18(22)24-5/h6-9,14H,1-5H3
InChIKeyNAFBVCARVFQRHH-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.88
Rot. Bonds3

About [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate

[4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate (PubChem CID 67832828) has the molecular formula C18H20FNO6 and a molecular weight of 365.36 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate
PubChem CID67832828
Molecular FormulaC18H20FNO6
Molecular Weight365.36 g/mol
Exact Mass365.13
IUPAC Name[4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OC)C1c1cccc(F)c1
InChIInChI=1S/C18H20FNO6/c1-10-15(25-17(21)23-4)14(12-7-6-8-13(19)9-12)16(11(2)20(10)3)26-18(22)24-5/h6-9,14H,1-5H3
InChIKeyNAFBVCARVFQRHH-UHFFFAOYSA-N
XLogP3.88
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl [4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-1,4-dihydropyridin-3-yl] carbonate
CID 17821732
[4-(4-Fluorophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 17821733
[4-(4-Fluorophenyl)-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 17821734
Ethyl [4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-1,4-dihydropyridin-3-yl] carbonate
CID 17821752
[5-Carboxyoxy-4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 17821756
prop-2-enyl [1,2,6-trimethyl-5-prop-2-enoxycarbonyloxy-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] carbonate
CID 17882804
Methyl [2,5,6-trimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] carbonate
CID 17882808
[2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 17882922
[5-Ethoxycarbonyloxy-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 21615156
[1-cyclopropyl-5-methoxycarbonyloxy-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] methyl carbonate
CID 21694552
[1-cyclopropyl-5-ethoxycarbonyloxy-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate
CID 21694553
[5-methoxycarbonyloxy-1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] 3-methylbutan-2-yl carbonate
CID 21694554

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate?
The IUPAC name of [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate (CID 67832828) is [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate.
What is the SMILES notation for [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate?
The canonical SMILES for [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate is COC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OC)C1c1cccc(F)c1.
What is the InChIKey of [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate?
The InChIKey is NAFBVCARVFQRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO6/c1-10-15(25-17(21)23-4)14(12-7-6-8-13(19)9-12)16(11(2)20(10)3)26-18(22)24-5/h6-9,14H,1-5H3.
What are the key properties of [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate?
[4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate has a molecular weight of 365.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-methoxycarbonyloxy-1,2,6-trimethyl-4H-pyridin-3-yl] methyl carbonate is sourced from PubChem (CID 67832828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).