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

C20H14ClFNNaO3 — CID 23662249

IUPACsodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1.[Na+]
InChIInChI=1S/C20H15ClFNO3.Na/c21-15-6-9-19(26-12-13-4-7-16(22)8-5-13)14(10-15)11-17-2-1-3-18(23-17)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
InChIKeyYNWIQQMAAKDZPB-UHFFFAOYSA-M
MW393.78 g/mol
LogP0.41
Rot. Bonds6

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

sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (PubChem CID 23662249) has the molecular formula C20H14ClFNNaO3 and a molecular weight of 393.78 g/mol. Its IUPAC name is sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
PubChem CID23662249
Molecular FormulaC20H14ClFNNaO3
Molecular Weight393.78 g/mol
Exact Mass393.05
IUPAC Namesodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1.[Na+]
InChIInChI=1S/C20H15ClFNO3.Na/c21-15-6-9-19(26-12-13-4-7-16(22)8-5-13)14(10-15)11-17-2-1-3-18(23-17)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
InChIKeyYNWIQQMAAKDZPB-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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Related Compounds

6-(2-(5-Chloro-2-(((2,4-difluorophenyl)methyl)oxy)phenyl)-1-cyclopenten-1-yl)-2-pyridinecarboxylic acid
CID 10238338
3-(2-(2-(benzyloxy)-5-chlorophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
CID 11640317
2-Pyridinecarboxylic acid, 6-(4-chloro-2-fluoro-3-methoxyphenyl)-4,5-difluoro-, phenylmethyl ester
CID 70496188
6-[2-[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
CID 10003006
6-[2-[5-Chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
CID 10411538
6-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
CID 10454544
3-[2-[5-Chloro-2-(2-methylpropoxy)phenyl]-5-methyl-1H-pyrrol-1-yl]benzoic acid
CID 11258250
3-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-5-(trifluoromethyl)pyrrol-1-yl]benzoic Acid
CID 11294771
3-{2-[5-Chloro-2-(2,4-difluoro-benzyloxy)-phenyl]-5-trifluoromethyl-pyrrol-1-yl}-benzoic acid
CID 11398071
Gsk-269984B
CID 11495634
6-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-2-pyridinecarboxylic acid
CID 11559437
6-({5-Chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-2-pyridinecarboxylic Acid
CID 11595316

Frequently Asked Questions

What is the IUPAC name of sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The IUPAC name of sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (CID 23662249) is sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The canonical SMILES for sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1.[Na+].
What is the InChIKey of sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The InChIKey is YNWIQQMAAKDZPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15ClFNO3.Na/c21-15-6-9-19(26-12-13-4-7-16(22)8-5-13)14(10-15)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-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
sodium 6-[[5-chloro-2-[(4-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-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 23662249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).