sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate

C23H19ClNNaO3 — CID 23699583

IUPACsodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OC2CCCC2)n1.[Na+]
InChIInChI=1S/C23H20ClNO3.Na/c24-15-12-13-22(28-16-6-1-2-7-16)19(14-15)17-8-3-4-9-18(17)20-10-5-11-21(25-20)23(26)27;/h3-5,8-14,16H,1-2,6-7H2,(H,26,27);/q;+1/p-1
InChIKeyNKQWPOMLCXSKOT-UHFFFAOYSA-M
MW415.85 g/mol
LogP1.76
Rot. Bonds5

About sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate

sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate (PubChem CID 23699583) has the molecular formula C23H19ClNNaO3 and a molecular weight of 415.85 g/mol. Its IUPAC name is sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate
PubChem CID23699583
Molecular FormulaC23H19ClNNaO3
Molecular Weight415.85 g/mol
Exact Mass415.10
IUPAC Namesodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OC2CCCC2)n1.[Na+]
InChIInChI=1S/C23H20ClNO3.Na/c24-15-12-13-22(28-16-6-1-2-7-16)19(14-15)17-8-3-4-9-18(17)20-10-5-11-21(25-20)23(26)27;/h3-5,8-14,16H,1-2,6-7H2,(H,26,27);/q;+1/p-1
InChIKeyNKQWPOMLCXSKOT-UHFFFAOYSA-M
XLogP1.76
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate (CID 23699583) is sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate is O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OC2CCCC2)n1.[Na+].
What is the InChIKey of sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate?
The InChIKey is NKQWPOMLCXSKOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20ClNO3.Na/c24-15-12-13-22(28-16-6-1-2-7-16)19(14-15)17-8-3-4-9-18(17)20-10-5-11-21(25-20)23(26)27;/h3-5,8-14,16H,1-2,6-7H2,(H,26,27);/q;+1/p-1.
What are the key properties of sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate?
sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate has a molecular weight of 415.85 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 23699583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).