lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate

C20H14F3LiN2O4 — CID 24987187

IUPAClithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate
SMILESCOc1cccc(-c2ccc(Nc3cnccc3C(=O)[O-])c(OC(F)(F)F)c2)c1.[Li+]
InChIInChI=1S/C20H15F3N2O4.Li/c1-28-14-4-2-3-12(9-14)13-5-6-16(18(10-13)29-20(21,22)23)25-17-11-24-8-7-15(17)19(26)27;/h2-11,25H,1H3,(H,26,27);/q;+1/p-1
InChIKeyRSJSPBIUPPWAFS-UHFFFAOYSA-M
MW410.28 g/mol
LogP0.77
Rot. Bonds6

About lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate

lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate (PubChem CID 24987187) has the molecular formula C20H14F3LiN2O4 and a molecular weight of 410.28 g/mol. Its IUPAC name is lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate.

Molecular Properties

Compound Namelithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate
PubChem CID24987187
Molecular FormulaC20H14F3LiN2O4
Molecular Weight410.28 g/mol
Exact Mass410.11
IUPAC Namelithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate
SMILESCOc1cccc(-c2ccc(Nc3cnccc3C(=O)[O-])c(OC(F)(F)F)c2)c1.[Li+]
InChIInChI=1S/C20H15F3N2O4.Li/c1-28-14-4-2-3-12(9-14)13-5-6-16(18(10-13)29-20(21,22)23)25-17-11-24-8-7-15(17)19(26)27;/h2-11,25H,1H3,(H,26,27);/q;+1/p-1
InChIKeyRSJSPBIUPPWAFS-UHFFFAOYSA-M
XLogP0.77
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-({[(1r)-6-Methoxy-1,2,3,4-Tetrahydronaphthalen-1-Yl]methyl}amino)pyridine-4-Carboxylic Acid
CID 90253505
N-(4-methoxybiphenyl-3-yl)isonicotinamide
CID 23723087
Lithium 3-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 24987183
Lithium;3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate
CID 24987532
2-[[6-(3-Methoxyphenyl)-5-methylpyridin-3-yl]amino]-5-(trifluoromethyl)benzoic acid
CID 25187569
2-[[6-(3-Methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25187570
2-[[6-(2-Fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25187850
5-Cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]amino]benzoic acid
CID 46213652
2-[[6-(3-Methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]-5-methylbenzoic acid
CID 46847896
5-Cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-yl]amino]benzoic acid
CID 56968468
US9611221, Example 102
CID 77107918
3-{[3-(Trifluoromethoxy)benzyl]amino}pyridine-4-carboxylic acid
CID 86728207

Frequently Asked Questions

What is the IUPAC name of lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate?
The IUPAC name of lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate (CID 24987187) is lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate.
What is the SMILES notation for lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate?
The canonical SMILES for lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate is COc1cccc(-c2ccc(Nc3cnccc3C(=O)[O-])c(OC(F)(F)F)c2)c1.[Li+].
What is the InChIKey of lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate?
The InChIKey is RSJSPBIUPPWAFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15F3N2O4.Li/c1-28-14-4-2-3-12(9-14)13-5-6-16(18(10-13)29-20(21,22)23)25-17-11-24-8-7-15(17)19(26)27;/h2-11,25H,1H3,(H,26,27);/q;+1/p-1.
What are the key properties of lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate?
lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate has a molecular weight of 410.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate is sourced from PubChem (CID 24987187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).