2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane

C57H53ClF14N2O8 — CID 158127059

IUPAC2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)OC1(C)C.CCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)nc2)OC1.CCCC1COC(c2ccc(Cl)nc2)OC1
InChIInChI=1S/C25H20F7NO3.C20H17F7O3.C12H16ClNO2/c1-2-3-13-11-34-24(35-12-13)14-4-5-21(33-10-14)15-6-17(26)22(18(27)7-15)25(31,32)36-16-8-19(28)23(30)20(29)9-16;1-18(2)19(3,4)30-17(29-18)9-5-11(21)15(12(22)6-9)20(26,27)28-10-7-13(23)16(25)14(24)8-10;1-2-3-9-7-15-12(16-8-9)10-4-5-11(13)14-6-10/h4-10,13,24H,2-3,11-12H2,1H3;5-8,17H,1-4H3;4-6,9,12H,2-3,7-8H2,1H3
InChIKeyFSHSGPYSWUDLTQ-UHFFFAOYSA-N
MW1195.48 g/mol
LogP16.34
Rot. Bonds14

About 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane

2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane (PubChem CID 158127059) has the molecular formula C57H53ClF14N2O8 and a molecular weight of 1195.48 g/mol. Its IUPAC name is 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane
PubChem CID158127059
Molecular FormulaC57H53ClF14N2O8
Molecular Weight1195.48 g/mol
Exact Mass1194.33
IUPAC Name2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)OC1(C)C.CCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)nc2)OC1.CCCC1COC(c2ccc(Cl)nc2)OC1
InChIInChI=1S/C25H20F7NO3.C20H17F7O3.C12H16ClNO2/c1-2-3-13-11-34-24(35-12-13)14-4-5-21(33-10-14)15-6-17(26)22(18(27)7-15)25(31,32)36-16-8-19(28)23(30)20(29)9-16;1-18(2)19(3,4)30-17(29-18)9-5-11(21)15(12(22)6-9)20(26,27)28-10-7-13(23)16(25)14(24)8-10;1-2-3-9-7-15-12(16-8-9)10-4-5-11(13)14-6-10/h4-10,13,24H,2-3,11-12H2,1H3;5-8,17H,1-4H3;4-6,9,12H,2-3,7-8H2,1H3
InChIKeyFSHSGPYSWUDLTQ-UHFFFAOYSA-N
XLogP16.34
TPSA99.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.48
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane 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

2-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine
CID 44185286
2-[4-[4-[(4-Chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383331
2-[4-[4-[(4-Chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383424
2-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyridine
CID 58383435
5-[4-[Difluoro-[2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)phenyl]methoxy]-2-fluorophenyl]-2-(3,4-difluorophenyl)pyridine
CID 58383475
2-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]pyridine
CID 58383513
2-[4-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(5-pentyl-1,3-dioxan-2-yl)pyridine
CID 58383607
2-[4-[4-[4-[(4-Chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-pentylpyridine
CID 58383790
2-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine
CID 59330229
2-Chloro-5-[2-(4-pentylphenyl)ethyl]pyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine
CID 88528371
2-Chloro-5-[4-(4-ethoxyphenyl)-2-(4-pentylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]butyl]pyridine
CID 88528373
2-[4-[(3,4-Difluoro-5-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine
CID 89232884

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane (CID 158127059) is 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane is CC1(C)OC(c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)OC1(C)C.CCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)nc2)OC1.CCCC1COC(c2ccc(Cl)nc2)OC1.
What is the InChIKey of 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
The InChIKey is FSHSGPYSWUDLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F7NO3.C20H17F7O3.C12H16ClNO2/c1-2-3-13-11-34-24(35-12-13)14-4-5-21(33-10-14)15-6-17(26)22(18(27)7-15)25(31,32)36-16-8-19(28)23(30)20(29)9-16;1-18(2)19(3,4)30-17(29-18)9-5-11(21)15(12(22)6-9)20(26,27)28-10-7-13(23)16(25)14(24)8-10;1-2-3-9-7-15-12(16-8-9)10-4-5-11(13)14-6-10/h4-10,13,24H,2-3,11-12H2,1H3;5-8,17H,1-4H3;4-6,9,12H,2-3,7-8H2,1H3.
What are the key properties of 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane has a molecular weight of 1195.48 g/mol, XLogP of 16.34, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(5-propyl-1,3-dioxan-2-yl)pyridine;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 158127059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).