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

C20H14ClFNNaO3 — CID 23664959

IUPACsodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2F)n1.[Na+]
InChIInChI=1S/C20H15ClFNO3.Na/c21-15-8-9-19(26-12-13-4-1-2-6-17(13)22)14(10-15)11-16-5-3-7-18(23-16)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
InChIKeyAHRLVGDLOOMUEP-UHFFFAOYSA-M
MW393.78 g/mol
LogP0.41
Rot. Bonds6

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

sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (PubChem CID 23664959) has the molecular formula C20H14ClFNNaO3 and a molecular weight of 393.78 g/mol. Its IUPAC name is sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
PubChem CID23664959
Molecular FormulaC20H14ClFNNaO3
Molecular Weight393.78 g/mol
Exact Mass393.05
IUPAC Namesodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2F)n1.[Na+]
InChIInChI=1S/C20H15ClFNO3.Na/c21-15-8-9-19(26-12-13-4-1-2-6-17(13)22)14(10-15)11-16-5-3-7-18(23-16)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
InChIKeyAHRLVGDLOOMUEP-UHFFFAOYSA-M
XLogP0.41
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The IUPAC name of sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (CID 23664959) is sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2F)n1.[Na+].
What is the InChIKey of sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The InChIKey is AHRLVGDLOOMUEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15ClFNO3.Na/c21-15-8-9-19(26-12-13-4-1-2-6-17(13)22)14(10-15)11-16-5-3-7-18(23-16)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1.
What are the key properties of sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate has a molecular weight of 393.78 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 23664959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).