[4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate

C17H19ClFNO6 — CID 70444032

IUPAC[4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)NC(C)C(OC(=O)OC)C1c1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFNO6/c1-8-14(25-16(21)23-3)12(10-6-5-7-11(18)13(10)19)15(9(2)20-8)26-17(22)24-4/h5-8,12,14,20H,1-4H3
InChIKeyHZARORZUBXUKTN-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.72
Rot. Bonds3

About [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate

[4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate (PubChem CID 70444032) has the molecular formula C17H19ClFNO6 and a molecular weight of 387.79 g/mol. Its IUPAC name is [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate.

Molecular Properties

Compound Name[4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate
PubChem CID70444032
Molecular FormulaC17H19ClFNO6
Molecular Weight387.79 g/mol
Exact Mass387.09
IUPAC Name[4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)NC(C)C(OC(=O)OC)C1c1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFNO6/c1-8-14(25-16(21)23-3)12(10-6-5-7-11(18)13(10)19)15(9(2)20-8)26-17(22)24-4/h5-8,12,14,20H,1-4H3
InChIKeyHZARORZUBXUKTN-UHFFFAOYSA-N
XLogP3.72
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methoxycarbonyloxy-2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate
CID 70516127
[3-cyano-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate
CID 70444026
[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate
CID 70380491
[4-(2,3-dichlorophenyl)-5-methoxycarbonyloxy-2,6-dimethyl-1,4-dihydropyridin-3-yl]oxycarbonyloxymethyl butanoate
CID 23215646
(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate
CID 70443250
[4-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70450334
methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196
(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine
CID 67403600
methyl (4S,6R)-4-(3-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
CID 129395606
cyclohexyl 3-chloro-2-fluorobenzoate
CID 91722751
3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
CID 130874669
[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate
CID 70354531

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate?
The IUPAC name of [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate (CID 70444032) is [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate.
What is the SMILES notation for [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate?
The canonical SMILES for [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate is COC(=O)OC1=C(C)NC(C)C(OC(=O)OC)C1c1cccc(Cl)c1F.
What is the InChIKey of [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate?
The InChIKey is HZARORZUBXUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO6/c1-8-14(25-16(21)23-3)12(10-6-5-7-11(18)13(10)19)15(9(2)20-8)26-17(22)24-4/h5-8,12,14,20H,1-4H3.
What are the key properties of [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate?
[4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate has a molecular weight of 387.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-fluorophenyl)-3-methoxycarbonyloxy-2,6-dimethyl-1,2,3,4-tetrahydropyridin-5-yl] methyl carbonate is sourced from PubChem (CID 70444032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).