ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate

C21H17F3N2O2 — CID 91448277

IUPACethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2c(C)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C21H17F3N2O2/c1-3-28-21(27)15-9-10-18(25-19-12(2)5-4-6-16(19)23)26-20(15)14-8-7-13(22)11-17(14)24/h4-11H,3H2,1-2H3,(H,25,26)
InChIKeyAUCBVXUPNXUWGS-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.39
Rot. Bonds5

About ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate

ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate (PubChem CID 91448277) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate
PubChem CID91448277
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Nameethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2c(C)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C21H17F3N2O2/c1-3-28-21(27)15-9-10-18(25-19-12(2)5-4-6-16(19)23)26-20(15)14-8-7-13(22)11-17(14)24/h4-11H,3H2,1-2H3,(H,25,26)
InChIKeyAUCBVXUPNXUWGS-UHFFFAOYSA-N
XLogP5.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
Stk008107
CID 694929
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
2-Substituted indole-3-carboxylate, 27d
CID 44158011
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Ethyl 4-{[(4,6-dimethylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 970961
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
Ethyl 5-cyano-6-(4-{[(2-isopropylphenyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752128
methyl 4-[[6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-anilino]-3-fluoro-2-pyridyl]amino]benzoate
CID 127033947
3-Acyl-2,6-diaminopyridine deriv. 2d
CID 5330818
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Benzyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 1257338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate (CID 91448277) is ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2c(C)cccc2F)nc1-c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate?
The InChIKey is AUCBVXUPNXUWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-3-28-21(27)15-9-10-18(25-19-12(2)5-4-6-16(19)23)26-20(15)14-8-7-13(22)11-17(14)24/h4-11H,3H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate?
ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate has a molecular weight of 386.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 91448277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).