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

C17H15ClF3N3O3 — CID 10692459

IUPACethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O3/c1-2-27-16(26)12-7-8-13(17(19,20)21)22-15(12)24-23-14(25)9-10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyDQPVKJPAACBPNS-UHFFFAOYSA-N
MW401.77 g/mol
LogP3.62
Rot. Bonds6

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

ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10692459) has the molecular formula C17H15ClF3N3O3 and a molecular weight of 401.77 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10692459
Molecular FormulaC17H15ClF3N3O3
Molecular Weight401.77 g/mol
Exact Mass401.08
IUPAC Nameethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O3/c1-2-27-16(26)12-7-8-13(17(19,20)21)22-15(12)24-23-14(25)9-10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyDQPVKJPAACBPNS-UHFFFAOYSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-acetylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 14144343
ethyl 5-(4-chlorophenyl)-2-(2-ethoxycarbonylhydrazinyl)-1H-pyrrole-3-carboxylate
CID 14144356
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
3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134132159
Ethyl 2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboperoxoate
CID 155925406
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10692459) is ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is DQPVKJPAACBPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O3/c1-2-27-16(26)12-7-8-13(17(19,20)21)22-15(12)24-23-14(25)9-10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 401.77 g/mol, XLogP of 3.62, 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]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10692459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).