methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate

C21H13ClF5N3O3 — CID 167512587

IUPACmethyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(F)ccc2Cl)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H13ClF5N3O3/c1-33-20(32)16-5-4-15(28-17-9-12(23)2-3-14(17)22)18(29-16)30-19(31)10-6-11(21(25,26)27)8-13(24)7-10/h2-9,28H,1H3,(H,29,30,31)
InChIKeyVHZHANCWQDYRPP-UHFFFAOYSA-N
MW485.80 g/mol
LogP5.81
Rot. Bonds5

About methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate

methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (PubChem CID 167512587) has the molecular formula C21H13ClF5N3O3 and a molecular weight of 485.80 g/mol. Its IUPAC name is methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
PubChem CID167512587
Molecular FormulaC21H13ClF5N3O3
Molecular Weight485.80 g/mol
Exact Mass485.06
IUPAC Namemethyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(F)ccc2Cl)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H13ClF5N3O3/c1-33-20(32)16-5-4-15(28-17-9-12(23)2-3-14(17)22)18(29-16)30-19(31)10-6-11(21(25,26)27)8-13(24)7-10/h2-9,28H,1H3,(H,29,30,31)
InChIKeyVHZHANCWQDYRPP-UHFFFAOYSA-N
XLogP5.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
N-[2-(2-chloro-5-fluoroanilino)-5-[1-(difluoromethyl)pyrazol-4-yl]-3-pyridinyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 167512051
methyl 1-(2-chloro-5-fluorophenyl)-7-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-oxo-1,2-dihydroisoindole-5-carboxylate
CID 163980333
N-[3-[(2-chloro-5-fluorophenyl)-(methylamino)methyl]-6-fluoro-4-formylnaphthalen-2-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750576
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylic acid
CID 166482151
N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435202
methyl 2-[3-amino-4-(2-chloro-5-fluorophenoxy)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-iodophosphanylindazol-7-yl]benzoate
CID 170615610
1-N-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107526797
N-[(5S)-5-(2-chloro-5-fluorophenyl)-2-(2-hydroxypropan-2-yl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619544
N-[9-(2-chloro-5-fluorophenyl)-11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171578063

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (CID 167512587) is methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(Nc2cc(F)ccc2Cl)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The InChIKey is VHZHANCWQDYRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF5N3O3/c1-33-20(32)16-5-4-15(28-17-9-12(23)2-3-14(17)22)18(29-16)30-19(31)10-6-11(21(25,26)27)8-13(24)7-10/h2-9,28H,1H3,(H,29,30,31).
What are the key properties of methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate has a molecular weight of 485.80 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 167512587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).