methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate

C14H10ClF3N2O2 — CID 45141626

IUPACmethyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3N2O2/c1-22-13(21)10-3-2-8(15)6-11(10)20-9-4-5-19-12(7-9)14(16,17)18/h2-7H,1H3,(H,19,20)
InChIKeyVMHVWKVUIPGGSS-UHFFFAOYSA-N
MW330.69 g/mol
LogP4.28
Rot. Bonds3

About methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate

methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate (PubChem CID 45141626) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
PubChem CID45141626
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Namemethyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3N2O2/c1-22-13(21)10-3-2-8(15)6-11(10)20-9-4-5-19-12(7-9)14(16,17)18/h2-7H,1H3,(H,19,20)
InChIKeyVMHVWKVUIPGGSS-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate 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 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
(4-methylsulfanylphenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11596558
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
(4-acetamidophenyl) 5-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 45140412
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
CID 43680646
sodium 4-chloro-2-[3-(trifluoromethyl)anilino]benzoate
CID 23680234

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate (CID 45141626) is methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate is COC(=O)c1ccc(Cl)cc1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
The InChIKey is VMHVWKVUIPGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c1-22-13(21)10-3-2-8(15)6-11(10)20-9-4-5-19-12(7-9)14(16,17)18/h2-7H,1H3,(H,19,20).
What are the key properties of methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate?
methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate has a molecular weight of 330.69 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 45141626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).