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

C50H36F10N2O6 — CID 162132834

IUPAC(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)n1.O=C(OCc1c(F)cccc1F)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1
InChIInChI=1S/C32H22F7NO3.C18H14F3NO3/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;19-18(20,21)10-7-8-16(23)13(9-10)11-3-1-4-12(11)14-5-2-6-15(22-14)17(24)25/h2-4,7-15H,1,5-6,16-17H2;2,5-9,23H,1,3-4H2,(H,24,25)
InChIKeyZIWSCSDHOZRDOE-UHFFFAOYSA-N
MW950.83 g/mol
LogP13.29
Rot. Bonds11

About (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-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-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid (PubChem CID 162132834) has the molecular formula C50H36F10N2O6 and a molecular weight of 950.83 g/mol. Its IUPAC name is (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
PubChem CID162132834
Molecular FormulaC50H36F10N2O6
Molecular Weight950.83 g/mol
Exact Mass950.24
IUPAC Name(2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)n1.O=C(OCc1c(F)cccc1F)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3c(F)cccc3F)CCC2)n1
InChIInChI=1S/C32H22F7NO3.C18H14F3NO3/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;19-18(20,21)10-7-8-16(23)13(9-10)11-3-1-4-12(11)14-5-2-6-15(22-14)17(24)25/h2-4,7-15H,1,5-6,16-17H2;2,5-9,23H,1,3-4H2,(H,24,25)
InChIKeyZIWSCSDHOZRDOE-UHFFFAOYSA-N
XLogP13.29
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.83
LogP ≤ 513.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid 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 (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid (CID 162132834) is (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3O)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 (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZIWSCSDHOZRDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F7NO3.C18H14F3NO3/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;19-18(20,21)10-7-8-16(23)13(9-10)11-3-1-4-12(11)14-5-2-6-15(22-14)17(24)25/h2-4,7-15H,1,5-6,16-17H2;2,5-9,23H,1,3-4H2,(H,24,25).
What are the key properties of (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-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-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid has a molecular weight of 950.83 g/mol, XLogP of 13.29, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methyl 6-[2-[2-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate;6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 162132834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).