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

C25H16ClFNNaO3 — CID 23690266

IUPACsodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2F)n1.[Na+]
InChIInChI=1S/C25H17ClFNO3.Na/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30;/h1-14H,15H2,(H,29,30);/q;+1/p-1
InChIKeyIZBMKZARDNDZDD-UHFFFAOYSA-M
MW455.85 g/mol
LogP2.15
Rot. Bonds6

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

sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate (PubChem CID 23690266) has the molecular formula C25H16ClFNNaO3 and a molecular weight of 455.85 g/mol. Its IUPAC name is sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
PubChem CID23690266
Molecular FormulaC25H16ClFNNaO3
Molecular Weight455.85 g/mol
Exact Mass455.07
IUPAC Namesodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2F)n1.[Na+]
InChIInChI=1S/C25H17ClFNO3.Na/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30;/h1-14H,15H2,(H,29,30);/q;+1/p-1
InChIKeyIZBMKZARDNDZDD-UHFFFAOYSA-M
XLogP2.15
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 52.15
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-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The IUPAC name of sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate (CID 23690266) is sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate is O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2F)n1.[Na+].
What is the InChIKey of sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The InChIKey is IZBMKZARDNDZDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H17ClFNO3.Na/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30;/h1-14H,15H2,(H,29,30);/q;+1/p-1.
What are the key properties of sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
sodium 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate has a molecular weight of 455.85 g/mol, XLogP of 2.15, 6 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-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 23690266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).