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

C31H24Cl3NO3 — CID 58887654

IUPAC(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1
InChIInChI=1S/C31H24Cl3NO3/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/h2,5-17H,1,3-4,18-19H2
InChIKeyXOQZKTIWFDAMTA-UHFFFAOYSA-N
MW564.90 g/mol
LogP9.07
Rot. Bonds8

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

(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (PubChem CID 58887654) has the molecular formula C31H24Cl3NO3 and a molecular weight of 564.90 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
PubChem CID58887654
Molecular FormulaC31H24Cl3NO3
Molecular Weight564.90 g/mol
Exact Mass563.08
IUPAC Name(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1
InChIInChI=1S/C31H24Cl3NO3/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/h2,5-17H,1,3-4,18-19H2
InChIKeyXOQZKTIWFDAMTA-UHFFFAOYSA-N
XLogP9.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.90
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-(2-(5-Chloro-2-(((2,4-difluorophenyl)methyl)oxy)phenyl)-1-cyclopenten-1-yl)-2-pyridinecarboxylic acid
CID 10238338
3-(2-(2-(benzyloxy)-5-chlorophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
CID 11640317
6-[2-[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
CID 10003006
6-[2-[5-Chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
CID 10411538
6-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
CID 10454544
Gsk-269984B
CID 11495634
6-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-2-pyridinecarboxylic acid
CID 11559437
6-({5-Chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-2-pyridinecarboxylic Acid
CID 11595316
Sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23662249
Sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23664959
Sodium 6-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23674081
Sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate
CID 23676882

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (CID 58887654) is (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is O=C(OCc1ccc(Cl)cc1)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3)CCC2)n1.
What is the InChIKey of (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The InChIKey is XOQZKTIWFDAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl3NO3/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/h2,5-17H,1,3-4,18-19H2.
What are the key properties of (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
(4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate has a molecular weight of 564.90 g/mol, XLogP of 9.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 6-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 58887654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).