ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate

C21H19F3N2O2 — CID 142933159

IUPACethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCC.COC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H13F3N2O2.C2H6/c1-26-19(25)13-9-10-16(24-18-14(21)3-2-4-15(18)22)23-17(13)11-5-7-12(20)8-6-11;1-2/h2-10H,1H3,(H,23,24);1-2H3
InChIKeyUUEYRHHCXZFROT-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.72
Rot. Bonds4

About ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate

ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate (PubChem CID 142933159) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
PubChem CID142933159
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Nameethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCC.COC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H13F3N2O2.C2H6/c1-26-19(25)13-9-10-16(24-18-14(21)3-2-4-15(18)22)23-17(13)11-5-7-12(20)8-6-11;1-2/h2-10H,1H3,(H,23,24);1-2H3
InChIKeyUUEYRHHCXZFROT-UHFFFAOYSA-N
XLogP5.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carbaldehyde;1-(2,6-difluorophenyl)-1-[6-(4-fluorophenyl)-5-formyl-2-pyridinyl]urea
CID 161478234
methyl 2-(4-bromophenyl)-6-iodopyridine-3-carboxylate
CID 154713362
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
CID 142384350
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-(2,6-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 113306686
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
methyl 4-(bromomethyl)-2-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
CID 67530278
methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 18324387

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate (CID 142933159) is ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate is CC.COC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1.
What is the InChIKey of ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is UUEYRHHCXZFROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2.C2H6/c1-26-19(25)13-9-10-16(24-18-14(21)3-2-4-15(18)22)23-17(13)11-5-7-12(20)8-6-11;1-2/h2-10H,1H3,(H,23,24);1-2H3.
What are the key properties of ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate has a molecular weight of 388.39 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 142933159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).