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

C19H11F4LiN2O3 — CID 24987532

IUPAClithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate
SMILESO=C([O-])c1ccncc1Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1F.[Li+]
InChIInChI=1S/C19H12F4N2O3.Li/c20-15-9-12(11-2-1-3-13(8-11)28-19(21,22)23)4-5-16(15)25-17-10-24-7-6-14(17)18(26)27;/h1-10,25H,(H,26,27);/q;+1/p-1
InChIKeyPRWGQNAMKAATAR-UHFFFAOYSA-M
MW398.24 g/mol
LogP0.90
Rot. Bonds5

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

lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate (PubChem CID 24987532) has the molecular formula C19H11F4LiN2O3 and a molecular weight of 398.24 g/mol. Its IUPAC name is lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate.

Molecular Properties

Compound Namelithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate
PubChem CID24987532
Molecular FormulaC19H11F4LiN2O3
Molecular Weight398.24 g/mol
Exact Mass398.09
IUPAC Namelithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate
SMILESO=C([O-])c1ccncc1Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1F.[Li+]
InChIInChI=1S/C19H12F4N2O3.Li/c20-15-9-12(11-2-1-3-13(8-11)28-19(21,22)23)4-5-16(15)25-17-10-24-7-6-14(17)18(26)27;/h1-10,25H,(H,26,27);/q;+1/p-1
InChIKeyPRWGQNAMKAATAR-UHFFFAOYSA-M
XLogP0.90
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate?
The IUPAC name of lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate (CID 24987532) is lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate.
What is the SMILES notation for lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate?
The canonical SMILES for lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate is O=C([O-])c1ccncc1Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1F.[Li+].
What is the InChIKey of lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate?
The InChIKey is PRWGQNAMKAATAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12F4N2O3.Li/c20-15-9-12(11-2-1-3-13(8-11)28-19(21,22)23)4-5-16(15)25-17-10-24-7-6-14(17)18(26)27;/h1-10,25H,(H,26,27);/q;+1/p-1.
What are the key properties of lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate?
lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate has a molecular weight of 398.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate is sourced from PubChem (CID 24987532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).