6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

C55H43Cl5N2O6 — CID 162114702

IUPAC6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESO=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1.O=C(OCc1ccc(Cl)cc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1
InChIInChI=1S/C31H24Cl3NO3.C24H19Cl2NO3/c32-22-11-7-20(8-12-22)18-37-30-16-15-24(34)17-27(30)25-3-1-4-26(25)28-5-2-6-29(35-28)31(36)38-19-21-9-13-23(33)14-10-21;25-16-9-7-15(8-10-16)14-30-23-12-11-17(26)13-20(23)18-3-1-4-19(18)21-5-2-6-22(27-21)24(28)29/h2,5-17H,1,3-4,18-19H2;2,5-13H,1,3-4,14H2,(H,28,29)
InChIKeyZGPOHJJMMVPTFW-UHFFFAOYSA-N
MW1005.22 g/mol
LogP15.83
Rot. Bonds14

About 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (PubChem CID 162114702) has the molecular formula C55H43Cl5N2O6 and a molecular weight of 1005.22 g/mol. Its IUPAC name is 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
PubChem CID162114702
Molecular FormulaC55H43Cl5N2O6
Molecular Weight1005.22 g/mol
Exact Mass1002.16
IUPAC Name6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESO=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1.O=C(OCc1ccc(Cl)cc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1
InChIInChI=1S/C31H24Cl3NO3.C24H19Cl2NO3/c32-22-11-7-20(8-12-22)18-37-30-16-15-24(34)17-27(30)25-3-1-4-26(25)28-5-2-6-29(35-28)31(36)38-19-21-9-13-23(33)14-10-21;25-16-9-7-15(8-10-16)14-30-23-12-11-17(26)13-20(23)18-3-1-4-19(18)21-5-2-6-22(27-21)24(28)29/h2,5-17H,1,3-4,18-19H2;2,5-13H,1,3-4,14H2,(H,28,29)
InChIKeyZGPOHJJMMVPTFW-UHFFFAOYSA-N
XLogP15.83
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.22
LogP ≤ 515.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate 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

(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 58887654
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21113006
6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid
CID 11362994
2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine
CID 91031962
6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid
CID 11420125
2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
CID 70971545
6-[2-[2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 11775463
6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid
CID 68931165
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
6-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 87627432

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The IUPAC name of 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (CID 162114702) is 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The canonical SMILES for 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1.O=C(OCc1ccc(Cl)cc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1.
What is the InChIKey of 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The InChIKey is ZGPOHJJMMVPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl3NO3.C24H19Cl2NO3/c32-22-11-7-20(8-12-22)18-37-30-16-15-24(34)17-27(30)25-3-1-4-26(25)28-5-2-6-29(35-28)31(36)38-19-21-9-13-23(33)14-10-21;25-16-9-7-15(8-10-16)14-30-23-12-11-17(26)13-20(23)18-3-1-4-19(18)21-5-2-6-22(27-21)24(28)29/h2,5-17H,1,3-4,18-19H2;2,5-13H,1,3-4,14H2,(H,28,29).
What are the key properties of 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate has a molecular weight of 1005.22 g/mol, XLogP of 15.83, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid;(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 162114702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).