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

C21H17ClNNaO3 — CID 23676882

IUPACsodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate
SMILESCCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1.[Na+]
InChIInChI=1S/C21H18ClNO3.Na/c1-2-12-26-20-11-10-14(22)13-17(20)15-6-3-4-7-16(15)18-8-5-9-19(23-18)21(24)25;/h3-11,13H,2,12H2,1H3,(H,24,25);/q;+1/p-1
InChIKeyZOANRRBZPHBVOK-UHFFFAOYSA-M
MW389.81 g/mol
LogP1.23
Rot. Bonds6

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

sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate (PubChem CID 23676882) has the molecular formula C21H17ClNNaO3 and a molecular weight of 389.81 g/mol. Its IUPAC name is sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate
PubChem CID23676882
Molecular FormulaC21H17ClNNaO3
Molecular Weight389.81 g/mol
Exact Mass389.08
IUPAC Namesodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate
SMILESCCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1.[Na+]
InChIInChI=1S/C21H18ClNO3.Na/c1-2-12-26-20-11-10-14(22)13-17(20)15-6-3-4-7-16(15)18-8-5-9-19(23-18)21(24)25;/h3-11,13H,2,12H2,1H3,(H,24,25);/q;+1/p-1
InChIKeyZOANRRBZPHBVOK-UHFFFAOYSA-M
XLogP1.23
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 51.23
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-propoxyphenyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate (CID 23676882) is sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate is CCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1.[Na+].
What is the InChIKey of sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate?
The InChIKey is ZOANRRBZPHBVOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H18ClNO3.Na/c1-2-12-26-20-11-10-14(22)13-17(20)15-6-3-4-7-16(15)18-8-5-9-19(23-18)21(24)25;/h3-11,13H,2,12H2,1H3,(H,24,25);/q;+1/p-1.
What are the key properties of sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate?
sodium 6-[2-(5-chloro-2-propoxyphenyl)phenyl]pyridine-2-carboxylate has a molecular weight of 389.81 g/mol, XLogP of 1.23, 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-propoxyphenyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 23676882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).