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

C20H14Cl2NNaO3 — CID 23694419

IUPACsodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1.[Na+]
InChIInChI=1S/C20H15Cl2NO3.Na/c21-15-6-4-13(5-7-15)12-26-19-9-8-16(22)10-14(19)11-17-2-1-3-18(23-17)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
InChIKeyUVFPJNWCAUNHKL-UHFFFAOYSA-M
MW410.23 g/mol
LogP0.93
Rot. Bonds6

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

sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (PubChem CID 23694419) has the molecular formula C20H14Cl2NNaO3 and a molecular weight of 410.23 g/mol. Its IUPAC name is sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
PubChem CID23694419
Molecular FormulaC20H14Cl2NNaO3
Molecular Weight410.23 g/mol
Exact Mass409.02
IUPAC Namesodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1.[Na+]
InChIInChI=1S/C20H15Cl2NO3.Na/c21-15-6-4-13(5-7-15)12-26-19-9-8-16(22)10-14(19)11-17-2-1-3-18(23-17)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
InChIKeyUVFPJNWCAUNHKL-UHFFFAOYSA-M
XLogP0.93
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 50.93
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-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The IUPAC name of sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (CID 23694419) is sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1.[Na+].
What is the InChIKey of sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The InChIKey is UVFPJNWCAUNHKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15Cl2NO3.Na/c21-15-6-4-13(5-7-15)12-26-19-9-8-16(22)10-14(19)11-17-2-1-3-18(23-17)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-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate has a molecular weight of 410.23 g/mol, XLogP of 0.93, 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-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 23694419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).