ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate

C16H15F3N2O2 — CID 71608505

IUPACethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(C(F)(F)F)nc1N
InChIInChI=1S/C16H15F3N2O2/c1-2-23-15(22)12-9-11(8-10-6-4-3-5-7-10)13(16(17,18)19)21-14(12)20/h3-7,9H,2,8H2,1H3,(H2,20,21)
InChIKeyCEVGKQBTTJJKNO-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.45
Rot. Bonds4

About ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 71608505) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID71608505
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Nameethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(C(F)(F)F)nc1N
InChIInChI=1S/C16H15F3N2O2/c1-2-23-15(22)12-9-11(8-10-6-4-3-5-7-10)13(16(17,18)19)21-14(12)20/h3-7,9H,2,8H2,1H3,(H2,20,21)
InChIKeyCEVGKQBTTJJKNO-UHFFFAOYSA-N
XLogP3.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 102172176
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
ethyl 1-benzyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 126676525
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
ethyl 4-benzyl-2,3-dichlorobenzoate
CID 70381316
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224634
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 71608505) is ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(Cc2ccccc2)c(C(F)(F)F)nc1N.
What is the InChIKey of ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is CEVGKQBTTJJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-2-23-15(22)12-9-11(8-10-6-4-3-5-7-10)13(16(17,18)19)21-14(12)20/h3-7,9H,2,8H2,1H3,(H2,20,21).
What are the key properties of ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 324.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 71608505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).