6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

C57H40F12N2O6 — CID 160972380

IUPAC6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESO=C(O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1.O=C(OCc1c(F)cccc1F)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1
InChIInChI=1S/C32H22F7NO3.C25H18F5NO3/c33-24-7-2-8-25(34)22(24)16-42-30-14-13-18(32(37,38)39)15-21(30)19-5-1-6-20(19)28-11-4-12-29(40-28)31(41)43-17-23-26(35)9-3-10-27(23)36;26-19-6-2-7-20(27)18(19)13-34-23-11-10-14(25(28,29)30)12-17(23)15-4-1-5-16(15)21-8-3-9-22(31-21)24(32)33/h2-4,7-15H,1,5-6,16-17H2;2-3,6-12H,1,4-5,13H2,(H,32,33)
InChIKeySYKSUWQPQOKSAF-UHFFFAOYSA-N
MW1076.93 g/mol
LogP15.44
Rot. Bonds14

About 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (PubChem CID 160972380) has the molecular formula C57H40F12N2O6 and a molecular weight of 1076.93 g/mol. Its IUPAC name is 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
PubChem CID160972380
Molecular FormulaC57H40F12N2O6
Molecular Weight1076.93 g/mol
Exact Mass1076.27
IUPAC Name6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESO=C(O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1.O=C(OCc1c(F)cccc1F)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1
InChIInChI=1S/C32H22F7NO3.C25H18F5NO3/c33-24-7-2-8-25(34)22(24)16-42-30-14-13-18(32(37,38)39)15-21(30)19-5-1-6-20(19)28-11-4-12-29(40-28)31(41)43-17-23-26(35)9-3-10-27(23)36;26-19-6-2-7-20(27)18(19)13-34-23-11-10-14(25(28,29)30)12-17(23)15-4-1-5-16(15)21-8-3-9-22(31-21)24(32)33/h2-4,7-15H,1,5-6,16-17H2;2-3,6-12H,1,4-5,13H2,(H,32,33)
InChIKeySYKSUWQPQOKSAF-UHFFFAOYSA-N
XLogP15.44
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.93
LogP ≤ 515.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

4-[2-[2-Phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 10310313
US9611222, Example 95
CID 118370671
6-[[2-Methyl-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 155153909
4-(4-Phenoxyphenyl)-6-(4-propan-2-yloxyphenyl)pyridine-2-carboxylic acid
CID 145967655
4-(4-Phenoxyphenyl)-6-phenylpyridine-2-carboxylic acid
CID 145968061
6-(4-Phenylmethoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyridine-2-carboxylic acid
CID 145968358
4-(4-Phenoxyphenyl)-6-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 145968866
4,6-Bis(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 145970652
Methyl 6-(4-(2-(cyano(hydroxy)methyl)-4-(trifluoromethyl)phenoxy)phenyl) picolinate
CID 117616786
Ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate
CID 122196333
6-(4-Fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid
CID 122196334
6-(4-Methoxyphenyl)-4-(4-phenoxyphenyl)pyridine-2-carboxylic acid
CID 145986580

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The IUPAC name of 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (CID 160972380) is 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The canonical SMILES for 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is O=C(O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1.O=C(OCc1c(F)cccc1F)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1.
What is the InChIKey of 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The InChIKey is SYKSUWQPQOKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F7NO3.C25H18F5NO3/c33-24-7-2-8-25(34)22(24)16-42-30-14-13-18(32(37,38)39)15-21(30)19-5-1-6-20(19)28-11-4-12-29(40-28)31(41)43-17-23-26(35)9-3-10-27(23)36;26-19-6-2-7-20(27)18(19)13-34-23-11-10-14(25(28,29)30)12-17(23)15-4-1-5-16(15)21-8-3-9-22(31-21)24(32)33/h2-4,7-15H,1,5-6,16-17H2;2-3,6-12H,1,4-5,13H2,(H,32,33).
What are the key properties of 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate has a molecular weight of 1076.93 g/mol, XLogP of 15.44, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 160972380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).