ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C18H17ClF3N3O3 — CID 10621805

IUPACethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF3N3O3/c1-3-28-17(27)15-10(2)8-13(18(20,21)22)23-16(15)25-24-14(26)9-11-4-6-12(19)7-5-11/h4-8H,3,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNFCNVTNEVYZSKU-UHFFFAOYSA-N
MW415.80 g/mol
LogP3.92
Rot. Bonds6

About ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10621805) has the molecular formula C18H17ClF3N3O3 and a molecular weight of 415.80 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10621805
Molecular FormulaC18H17ClF3N3O3
Molecular Weight415.80 g/mol
Exact Mass415.09
IUPAC Nameethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF3N3O3/c1-3-28-17(27)15-10(2)8-13(18(20,21)22)23-16(15)25-24-14(26)9-11-4-6-12(19)7-5-11/h4-8H,3,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNFCNVTNEVYZSKU-UHFFFAOYSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-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

Ethyl 2-anilino-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57395093
ethyl 2-(2-acetylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 14144343
ethyl 5-(4-chlorophenyl)-2-[2-(2-methylpropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600212
ethyl 2-(2-butanoylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 42600214
Ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 134833239
Ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10496993
Ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10499189
Ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10525663
Ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10546911
Ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10566479
Ethyl 4-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10617375
Ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10618034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10621805) is ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(C(F)(F)F)nc1NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is NFCNVTNEVYZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3/c1-3-28-17(27)15-10(2)8-13(18(20,21)22)23-16(15)25-24-14(26)9-11-4-6-12(19)7-5-11/h4-8H,3,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 415.80 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10621805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).