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

C19H14FLiN2O3 — CID 24987185

IUPAClithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate
SMILESCOc1cccc(-c2ccc(Nc3cnccc3C(=O)[O-])c(F)c2)c1.[Li+]
InChIInChI=1S/C19H15FN2O3.Li/c1-25-14-4-2-3-12(9-14)13-5-6-17(16(20)10-13)22-18-11-21-8-7-15(18)19(23)24;/h2-11,22H,1H3,(H,23,24);/q;+1/p-1
InChIKeyIEWDRGIVUUIUNV-UHFFFAOYSA-M
MW344.27 g/mol
LogP0.01
Rot. Bonds5

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

lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate (PubChem CID 24987185) has the molecular formula C19H14FLiN2O3 and a molecular weight of 344.27 g/mol. Its IUPAC name is lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate.

Molecular Properties

Compound Namelithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate
PubChem CID24987185
Molecular FormulaC19H14FLiN2O3
Molecular Weight344.27 g/mol
Exact Mass344.11
IUPAC Namelithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate
SMILESCOc1cccc(-c2ccc(Nc3cnccc3C(=O)[O-])c(F)c2)c1.[Li+]
InChIInChI=1S/C19H15FN2O3.Li/c1-25-14-4-2-3-12(9-14)13-5-6-17(16(20)10-13)22-18-11-21-8-7-15(18)19(23)24;/h2-11,22H,1H3,(H,23,24);/q;+1/p-1
InChIKeyIEWDRGIVUUIUNV-UHFFFAOYSA-M
XLogP0.01
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68763008
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
calcium;bis(2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate);hydrate
CID 164512938
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24988290
N-[2-fluoro-4-[2-hydroxy-3-(3-methoxyphenyl)phenyl]phenyl]acetamide
CID 166167308
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
CID 118027357
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
2-(3-methoxyanilino)benzoate
CID 6943552
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 58075174
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1,3-dicarboxylic acid
CID 22042535
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431

Frequently Asked Questions

What is the IUPAC name of lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate?
The IUPAC name of lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate (CID 24987185) is lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate.
What is the SMILES notation for lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate?
The canonical SMILES for lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate is COc1cccc(-c2ccc(Nc3cnccc3C(=O)[O-])c(F)c2)c1.[Li+].
What is the InChIKey of lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate?
The InChIKey is IEWDRGIVUUIUNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15FN2O3.Li/c1-25-14-4-2-3-12(9-14)13-5-6-17(16(20)10-13)22-18-11-21-8-7-15(18)19(23)24;/h2-11,22H,1H3,(H,23,24);/q;+1/p-1.
What are the key properties of lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate?
lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate has a molecular weight of 344.27 g/mol, XLogP of 0.01, 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-methoxyphenyl)anilino]pyridine-4-carboxylate is sourced from PubChem (CID 24987185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).